rosetta.core.scoring
index
(built-in)

Bindings for core::scoring namespace

 
Modules
       
rosetta.core.scoring.EnergiesCacheableDataType
rosetta.core.scoring.aa_composition_energy
rosetta.core.scoring.aa_repeat_energy
rosetta.core.scoring.annealing
rosetta.core.scoring.bin_transitions
rosetta.core.scoring.carbohydrates
rosetta.core.scoring.carbon_hbonds
rosetta.core.scoring.constraints
rosetta.core.scoring.cryst
rosetta.core.scoring.custom_pair_distance
rosetta.core.scoring.disulfides
rosetta.core.scoring.dna
rosetta.core.scoring.dssp
rosetta.core.scoring.elec
rosetta.core.scoring.electron_density
rosetta.core.scoring.electron_density_atomwise
rosetta.core.scoring.etable
rosetta.core.scoring.fiber_diffraction
rosetta.core.scoring.func
rosetta.core.scoring.geometric_solvation
rosetta.core.scoring.hackaro
rosetta.core.scoring.hbonds
rosetta.core.scoring.interface_
rosetta.core.scoring.lkball
rosetta.core.scoring.loop_graph
rosetta.core.scoring.magnesium
rosetta.core.scoring.membrane
rosetta.core.scoring.methods
rosetta.core.scoring.mm
rosetta.core.scoring.motif
rosetta.core.scoring.nv
rosetta.core.scoring.orbitals
rosetta.core.scoring.packing
rosetta.core.scoring.packstat
rosetta.core.scoring.power_diagram
rosetta.core.scoring.rna
rosetta.core.scoring.sasa
rosetta.core.scoring.saxs
rosetta.core.scoring.sc
rosetta.core.scoring.solid_surface
rosetta.core.scoring.sym_e
rosetta.core.scoring.symmetry
rosetta.core.scoring.trie
rosetta.core.scoring.vdwaals

 
Classes
       
builtins.object
APBSConfig
APBSResult
APBSWrapper
AtomNeighbor
AtomVDW
BB_Pos
CSA
CenHBPotential
CenRotEnvPairPotential
ContextGraphFactory
ContextGraphType
DC
DerivVectorPair
EMapVector
Energies
EnvPairPotential
MembranePotential
Membrane_FAPotential
FACTSPotential
FACTSResidueInfo
FACTSRsdTypeInfo
GenBornPotential
GenBornResidueInfo
Hairpin
Hairpins
Helices
LREnergyContainer
DenseEnergyContainer
OneToAllEnergyContainer
PolymerBondedEnergyContainer
MultipoleAxisType
MultipoleElecPotential
MultipoleParameter
NeighborList
OmegaTether
PDatom
PDinter
PDvertex
PQR
P_AA
P_AA_ss
PairEPotential
PoissonBoltzmannPotential
Predicate
ExcludedResPredicate
IsProteinCAPredicate
ResRangePredicate
SelectedResPredicate
ProQPotential
ProteinTorsion
RDC
RDC_Rohl
RamaPrePro
Rama_Table_Type
Ramachandran
Ramachandran2B
ResPairMinimizationData
ResSingleMinimizationData
ResidueNeighborConstIterator
DenseNeighborConstIterator
OneToAllNeighborConstIterator
PolymerBondedNeighborConstIterator
ResidueNeighborIterator
DenseNeighborIterator
OneToAllNeighborIterator
PolymerBondedNeighborIterator
SASAPotential
SAnode
ScoreFunction
DockingScoreFunction
MinScoreScoreFunction
ScoreFunctionFactory
ScoreFunctionInfo
ScoreType
ScoreTypeManager
SecondaryStructurePotential
SecondaryStructureWeights
SmallAtNb
SmoothEnvPairPotential
SmoothScoreTermCoeffs
SplitUnfoldedTwoBodyPotential
Strands
TMscore
TMscoreStore
UnfoldedStatePotential
VdWTinkerPotential
WaterAdductHBondPotential
min_pair_data
min_single_data
rosetta.basic.datacache.CacheableData(builtins.object)
CenListInfo
ChemicalShiftAnisotropy
DipolarCoupling
FACTSPoseInfo
FACTSRotamerSetInfo
GenBornPoseInfo
GenBornRotamerSetInfo
MembraneEmbed
MembraneTopology
Membrane_FAEmbed
MultipoleElecPoseInfo
MultipoleElecResidueInfo
MultipoleElecRotamerSetInfo
ResidualDipolarCoupling
ResidualDipolarCoupling_Rohl
ResidueNblistData
ResiduePairNeighborList
SS_Info
SS_Killhairpins_Info
VdWTinkerPoseInfo
VdWTinkerResidueInfo
VdWTinkerRotamerSetInfo
rosetta.core.graph.Edge(builtins.object)
EnergyEdge
MinimizationEdge
TenANeighborEdge
TwelveANeighborEdge
rosetta.core.graph.Graph(builtins.object)
ContextGraph
TenANeighborGraph
TwelveANeighborGraph
EnergyGraph
MinimizationGraph
rosetta.core.graph.Node(builtins.object)
EnergyNode
MinimizationNode
TenANeighborNode
TwelveANeighborNode
rosetta.utility.SingletonBase_core_scoring_ScoringManager_t(builtins.object)
ScoringManager

 
class APBSConfig(builtins.object)
    -------------------------------------------------------------------------------------
APBSConfig
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.core.scoring.APBSConfig, pose : rosetta.core.pose.Pose, natoms : int, dbg : int, calcenergy : bool) -> NoneType
 
2. __init__(self : rosetta.core.scoring.APBSConfig,  : rosetta.core.scoring.APBSConfig) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.APBSConfig,  : rosetta.core.scoring.APBSConfig) -> rosetta.core.scoring.APBSConfig

Data descriptors defined here:
calcenergy
cfac
dbg
fadd
i_param
natoms
nsims
ofrac
r_param
space

 
class APBSResult(builtins.object)
    -------------------------------------------------------------------------------------
APBSResult
 
  Methods defined here:
__init__(self, /, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.APBSResult,  : rosetta.core.scoring.APBSResult) -> rosetta.core.scoring.APBSResult

Data descriptors defined here:
dbx
dby
dbz
dx
dy
dz
esEnergy
grid_data
ibx
iby
ibz
npEnergy
npx
npy
npz
nwrites
qfx
qfy
qfz

 
class APBSWrapper(builtins.object)
    -------------------------------------------------------------------------------------
APBS wrapper
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : rosetta.core.scoring.APBSWrapper, pose : rosetta.core.pose.Pose, charged_residues : rosetta.std.map_std_string_bool, dbg : int, calcenergy : bool) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.APBSWrapper,  : rosetta.core.scoring.APBSWrapper) -> rosetta.core.scoring.APBSWrapper
exec(...) from builtins.PyCapsule
exec(rosetta.core.scoring.APBSWrapper) -> core::scoring::APBSResult

 
class AtomNeighbor(builtins.object)
    The neighborlist is used during minimization to speed atom-atom energy
calculations. It stores a list of potentially interacting neighbor atoms
for each atom in the system.
 
The logic for using the nblist is tricky.
 
Tentative scheme:
turn on nblist scoring at start of minimization
 
// at this point, want pose to be fully scored
// so perhaps a call to scorefxn(pose) ??
// Real const start_score( scorefxn( pose ) );
 
pose.energies().setup_use_nblist( true );
 
Real const start_func( func( vars ) ); // nblist setup inside this call
 
now require that all energy evaluations have an identical set of moving
dofs (guaranteed if all energy calculations are inside function
evaluations). This is checked inside each scorecaln using the
nblist.
 
when using the nblist, the rsd-rsd neighbor information is not
updated. This will probably be a good thing in that it will smooth
the energy landscape during minimization...
 
in a nblist score calculation, we do two things: recover cached
energies for non-pair-moved positions, and get atom-atom energies
for the pairs that are on the nblist. We don't cache 2d energies
for moving positions, since we are not looping over rsd nbr links
for that score calculation so the caching would be pretty time-
consuming I think.
 
The nblist has the count_pair weights stored, so no calls to
count_pair !!
 
turn off nblist scoring at the end of minimization. Since we have not
been updating rsd-pair energies for moving pairs, and the rsd-rsd
nblist is potentially out of data, we reset the neighborgraph at this
point to ensure a complete score calculation next time.
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.AtomNeighbor) -> NoneType
 
2. __init__(rosetta.core.scoring.AtomNeighbor, int, int, int, float) -> NoneType
 
doc
 
3. __init__(self : rosetta.core.scoring.AtomNeighbor, rsd_in : int, atomno_in : int, path_dist_in : int, weight_in : float, weight_func_in : float) -> NoneType
 
4. __init__(self : rosetta.core.scoring.AtomNeighbor,  : rosetta.core.scoring.AtomNeighbor) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.AtomNeighbor,  : rosetta.core.scoring.AtomNeighbor) -> rosetta.core.scoring.AtomNeighbor
atomno(...) from builtins.PyCapsule
atomno(rosetta.core.scoring.AtomNeighbor) -> int
path_dist(...) from builtins.PyCapsule
path_dist(rosetta.core.scoring.AtomNeighbor) -> int
rsd(...) from builtins.PyCapsule
rsd(rosetta.core.scoring.AtomNeighbor) -> int
temp1(...) from builtins.PyCapsule
temp1(rosetta.core.scoring.AtomNeighbor) -> float
temp2(...) from builtins.PyCapsule
temp2(rosetta.core.scoring.AtomNeighbor) -> float
temp3(...) from builtins.PyCapsule
temp3(rosetta.core.scoring.AtomNeighbor) -> float
temp4(...) from builtins.PyCapsule
temp4(rosetta.core.scoring.AtomNeighbor) -> float
weight(...) from builtins.PyCapsule
weight(rosetta.core.scoring.AtomNeighbor) -> float
weight_func(...) from builtins.PyCapsule
weight_func(rosetta.core.scoring.AtomNeighbor) -> float
 
fpd

 
class AtomVDW(builtins.object)
     Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.core.scoring.AtomVDW, atom_type_index : int) -> rosetta.utility.vector1_double
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.core.scoring.AtomVDW, atom_type_set_name : str) -> NoneType
 
2. __init__(self : rosetta.core.scoring.AtomVDW,  : rosetta.core.scoring.AtomVDW) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
approximate_vdw_radius(...) from builtins.PyCapsule
approximate_vdw_radius(self : rosetta.core.scoring.AtomVDW, atom_type_index : int) -> float
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.AtomVDW,  : rosetta.core.scoring.AtomVDW) -> rosetta.core.scoring.AtomVDW
atom_type_set_name(...) from builtins.PyCapsule
atom_type_set_name(rosetta.core.scoring.AtomVDW) -> str

 
class BB_Pos(builtins.object)
    ///////////////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
C(...) from builtins.PyCapsule
C(self : rosetta.core.scoring.BB_Pos, i : int) -> rosetta.numeric.xyzVector_double_t
 
accessor for C's coordinate on residue i, requires take_coordinates_from_pose have been recently called.
CA(...) from builtins.PyCapsule
CA(self : rosetta.core.scoring.BB_Pos, i : int) -> rosetta.numeric.xyzVector_double_t
 
accessor for CA's coordinate on residue i, requires take_coordinates_from_pose have been recently called.
CB(...) from builtins.PyCapsule
CB(self : rosetta.core.scoring.BB_Pos, i : int) -> rosetta.numeric.xyzVector_double_t
 
accessor for CB's coordinate on residue i, requires take_coordinates_from_pose have been recently called.
N(...) from builtins.PyCapsule
N(self : rosetta.core.scoring.BB_Pos, i : int) -> rosetta.numeric.xyzVector_double_t
 
accessor for N's coordinate on residue i, requires take_coordinates_from_pose have been recently called.
O(...) from builtins.PyCapsule
O(self : rosetta.core.scoring.BB_Pos, i : int) -> rosetta.numeric.xyzVector_double_t
 
accessor for O's coordinate on residue i, requires take_coordinates_from_pose have been recently called.
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.core.scoring.BB_Pos,  : rosetta.core.scoring.BB_Pos) -> NoneType
 
2. __init__(rosetta.core.scoring.BB_Pos) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.BB_Pos,  : rosetta.core.scoring.BB_Pos) -> rosetta.core.scoring.BB_Pos
resize(...) from builtins.PyCapsule
resize(self : rosetta.core.scoring.BB_Pos, nres : int) -> NoneType
take_coordinates_from_pose(...) from builtins.PyCapsule
take_coordinates_from_pose(self : rosetta.core.scoring.BB_Pos, pose : rosetta.core.pose.Pose) -> NoneType

 
class CSA(builtins.object)
    //////////////////////////////////////////////
 
  Methods defined here:
CSAcomputed(...) from builtins.PyCapsule
CSAcomputed(*args, **kwargs)
Overloaded function.
 
1. CSAcomputed(rosetta.core.scoring.CSA) -> float
 
2. CSAcomputed(rosetta.core.scoring.CSA) -> float
CSAerr(...) from builtins.PyCapsule
CSAerr(rosetta.core.scoring.CSA) -> float
CSAval(...) from builtins.PyCapsule
CSAval(rosetta.core.scoring.CSA) -> float
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.CSA) -> NoneType
 
2. __init__(self : rosetta.core.scoring.CSA, res1 : int, atom1 : str, sigma1 : float, sigma2 : float, sigma3 : float, CSAval : float, CSAerr : float, weight : float) -> NoneType
 
3. __init__(self : rosetta.core.scoring.CSA,  : rosetta.core.scoring.CSA) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.CSA) -> str
alpha(...) from builtins.PyCapsule
alpha(rosetta.core.scoring.CSA) -> float
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.CSA,  : rosetta.core.scoring.CSA) -> rosetta.core.scoring.CSA
atom1(...) from builtins.PyCapsule
atom1(rosetta.core.scoring.CSA) -> str
atom2(...) from builtins.PyCapsule
atom2(rosetta.core.scoring.CSA) -> str
atom3(...) from builtins.PyCapsule
atom3(rosetta.core.scoring.CSA) -> str
beta(...) from builtins.PyCapsule
beta(rosetta.core.scoring.CSA) -> float
f1ij(...) from builtins.PyCapsule
f1ij(rosetta.core.scoring.CSA) -> rosetta.numeric.xyzVector_double_t
f2ij(...) from builtins.PyCapsule
f2ij(rosetta.core.scoring.CSA) -> rosetta.numeric.xyzVector_double_t
f3ij(...) from builtins.PyCapsule
f3ij(rosetta.core.scoring.CSA) -> rosetta.numeric.xyzVector_double_t
gamma(...) from builtins.PyCapsule
gamma(rosetta.core.scoring.CSA) -> float
res1(...) from builtins.PyCapsule
res1(rosetta.core.scoring.CSA) -> int
res2(...) from builtins.PyCapsule
res2(rosetta.core.scoring.CSA) -> int
res3(...) from builtins.PyCapsule
res3(rosetta.core.scoring.CSA) -> int
set_weight(...) from builtins.PyCapsule
set_weight(self : rosetta.core.scoring.CSA, w_in : float) -> NoneType
sigma1(...) from builtins.PyCapsule
sigma1(rosetta.core.scoring.CSA) -> float
sigma2(...) from builtins.PyCapsule
sigma2(rosetta.core.scoring.CSA) -> float
sigma3(...) from builtins.PyCapsule
sigma3(rosetta.core.scoring.CSA) -> float
weight(...) from builtins.PyCapsule
weight(rosetta.core.scoring.CSA) -> float

Data descriptors defined here:
CSAval_computed_
f1ij_
f2ij_
f3ij_

 
class CenHBPotential(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.CenHBPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_lr_gaussian(...) from builtins.PyCapsule
add_lr_gaussian(self : rosetta.core.scoring.CenHBPotential, A_in : float, mu_in : rosetta.numeric.xyzVector_double_t, sigma_in : rosetta.numeric.xyzVector_double_t) -> NoneType
add_sr_gaussian(...) from builtins.PyCapsule
add_sr_gaussian(self : rosetta.core.scoring.CenHBPotential, A_in : float, mu_in : rosetta.numeric.xyzVector_double_t, sigma_in : rosetta.numeric.xyzVector_double_t) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.CenHBPotential,  : rosetta.core.scoring.CenHBPotential) -> rosetta.core.scoring.CenHBPotential
clear(...) from builtins.PyCapsule
clear(rosetta.core.scoring.CenHBPotential) -> NoneType
cutoff(...) from builtins.PyCapsule
cutoff(self : rosetta.core.scoring.CenHBPotential, seqsep : int) -> float
dfunc(...) from builtins.PyCapsule
dfunc(self : rosetta.core.scoring.CenHBPotential, seqsep : int, d : float, xd : float, xh : float) -> rosetta.numeric.xyzVector_double_t
dfunc_soft(...) from builtins.PyCapsule
dfunc_soft(self : rosetta.core.scoring.CenHBPotential, a1 : rosetta.numeric.xyzVector_double_t, a2 : rosetta.numeric.xyzVector_double_t, b1 : rosetta.numeric.xyzVector_double_t, b2 : rosetta.numeric.xyzVector_double_t, dv : rosetta.numeric.xyzVector_double_t, df_dABNC_1 : rosetta.utility.vector1_numeric_xyzVector_double_t, df_dABNC_2 : rosetta.utility.vector1_numeric_xyzVector_double_t) -> NoneType
func(...) from builtins.PyCapsule
func(self : rosetta.core.scoring.CenHBPotential, seqsep : int, d : float, xd : float, xh : float) -> float
func_soft(...) from builtins.PyCapsule
func_soft(self : rosetta.core.scoring.CenHBPotential, a1 : rosetta.numeric.xyzVector_double_t, a2 : rosetta.numeric.xyzVector_double_t, b1 : rosetta.numeric.xyzVector_double_t, b2 : rosetta.numeric.xyzVector_double_t, dv : rosetta.numeric.xyzVector_double_t) -> float
nlr_gaussians(...) from builtins.PyCapsule
nlr_gaussians(rosetta.core.scoring.CenHBPotential) -> int
nsr_gaussians(...) from builtins.PyCapsule
nsr_gaussians(rosetta.core.scoring.CenHBPotential) -> int
set_cutoff_lr(...) from builtins.PyCapsule
set_cutoff_lr(self : rosetta.core.scoring.CenHBPotential, cut_in : float) -> NoneType
set_cutoff_sr(...) from builtins.PyCapsule
set_cutoff_sr(self : rosetta.core.scoring.CenHBPotential, cut_in : float) -> NoneType

 
class CenListInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Keep track of the cenlist information
 
 
Method resolution order:
CenListInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.CenListInfo) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.CenListInfo,  : rosetta.core.scoring.CenListInfo) -> rosetta.core.scoring.CenListInfo
calculated(...) from builtins.PyCapsule
calculated(*args, **kwargs)
Overloaded function.
 
1. calculated(rosetta.core.scoring.CenListInfo) -> bool
 
2. calculated(rosetta.core.scoring.CenListInfo) -> bool
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.CenListInfo) -> rosetta.basic.datacache.CacheableData
fcen10(...) from builtins.PyCapsule
fcen10(*args, **kwargs)
Overloaded function.
 
1. fcen10(self : rosetta.core.scoring.CenListInfo, seqpos : int) -> float
 
2. fcen10(self : rosetta.core.scoring.CenListInfo, seqpos : int) -> float
fcen12(...) from builtins.PyCapsule
fcen12(*args, **kwargs)
Overloaded function.
 
1. fcen12(self : rosetta.core.scoring.CenListInfo, seqpos : int) -> float
 
2. fcen12(self : rosetta.core.scoring.CenListInfo, seqpos : int) -> float
fcen6(...) from builtins.PyCapsule
fcen6(*args, **kwargs)
Overloaded function.
 
1. fcen6(self : rosetta.core.scoring.CenListInfo, seqpos : int) -> float
 
2. fcen6(self : rosetta.core.scoring.CenListInfo, seqpos : int) -> float
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.CenListInfo, pose : rosetta.core.pose.Pose) -> NoneType
set_fcen10(...) from builtins.PyCapsule
set_fcen10(self : rosetta.core.scoring.CenListInfo, seqpos : int, value : float) -> NoneType
set_fcen12(...) from builtins.PyCapsule
set_fcen12(self : rosetta.core.scoring.CenListInfo, seqpos : int, value : float) -> NoneType
set_fcen6(...) from builtins.PyCapsule
set_fcen6(self : rosetta.core.scoring.CenListInfo, seqpos : int, value : float) -> NoneType
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.CenListInfo) -> int

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class CenRotEnvPairPotential(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.CenRotEnvPairPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.CenRotEnvPairPotential,  : rosetta.core.scoring.CenRotEnvPairPotential) -> rosetta.core.scoring.CenRotEnvPairPotential
compute_centroid_environment(...) from builtins.PyCapsule
compute_centroid_environment(self : rosetta.core.scoring.CenRotEnvPairPotential, pose : rosetta.core.pose.Pose) -> NoneType
compute_dcentroid_environment(...) from builtins.PyCapsule
compute_dcentroid_environment(self : rosetta.core.scoring.CenRotEnvPairPotential, pose : rosetta.core.pose.Pose) -> NoneType
evaluate_cen_rot_env_and_cbeta_deriv(...) from builtins.PyCapsule
evaluate_cen_rot_env_and_cbeta_deriv(self : rosetta.core.scoring.CenRotEnvPairPotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, f2_cen_env : rosetta.numeric.xyzVector_double_t, f2_cen_cb6 : rosetta.numeric.xyzVector_double_t, f2_cen_cb12 : rosetta.numeric.xyzVector_double_t, f2_cb_env : rosetta.numeric.xyzVector_double_t, f2_cb_cb6 : rosetta.numeric.xyzVector_double_t, f2_cb_cb12 : rosetta.numeric.xyzVector_double_t) -> NoneType
evaluate_cen_rot_env_and_cbeta_score(...) from builtins.PyCapsule
evaluate_cen_rot_env_and_cbeta_score(self : rosetta.core.scoring.CenRotEnvPairPotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, env_contribution : float, cbeta6_contribution : float, cbeta12_contribution : float) -> NoneType
 
env
evaluate_cen_rot_pair_deriv(...) from builtins.PyCapsule
evaluate_cen_rot_pair_deriv(self : rosetta.core.scoring.CenRotEnvPairPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, cendist : float, d_pair : float) -> NoneType
evaluate_cen_rot_pair_orientation_deriv(...) from builtins.PyCapsule
evaluate_cen_rot_pair_orientation_deriv(self : rosetta.core.scoring.CenRotEnvPairPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, cendist : float, ang : float, dE_dr : float, dE_d_ang : float, dE_d_dih : float) -> NoneType
evaluate_cen_rot_pair_orientation_score(...) from builtins.PyCapsule
evaluate_cen_rot_pair_orientation_score(self : rosetta.core.scoring.CenRotEnvPairPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, cendist : float, ang1_contribution : float, ang2_contribution : float, dih_contribution : float) -> NoneType
evaluate_cen_rot_pair_score(...) from builtins.PyCapsule
evaluate_cen_rot_pair_score(self : rosetta.core.scoring.CenRotEnvPairPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, cendist : float, pair_contribution : float) -> NoneType
 
pair
finalize(...) from builtins.PyCapsule
finalize(self : rosetta.core.scoring.CenRotEnvPairPotential, pose : rosetta.core.pose.Pose) -> NoneType

 
class ChemicalShiftAnisotropy(rosetta.basic.datacache.CacheableData)
    ChemicalShiftAnisotropys are mainly handled by this class
 
 
related classed: CSA --- a single line in an CSA file - representing a single csa coupling
                        ChemicalShiftAnisotropyEnergy -- an energy method which triggers computations handled by this class.
 
 
Method resolution order:
ChemicalShiftAnisotropy
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
doc
 
2. __init__(self : handle, filename : str) -> NoneType
 
3. __init__(handle, rosetta.core.scoring.ChemicalShiftAnisotropy) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.ChemicalShiftAnisotropy) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ChemicalShiftAnisotropy, other : rosetta.core.scoring.ChemicalShiftAnisotropy) -> rosetta.core.scoring.ChemicalShiftAnisotropy
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.ChemicalShiftAnisotropy) -> rosetta.basic.datacache.CacheableData
compute_csascore(...) from builtins.PyCapsule
compute_csascore(self : rosetta.core.scoring.ChemicalShiftAnisotropy, pose : rosetta.core.pose.Pose) -> float
 
compute csa score for given pose (non-constant due to membrane)
get_CSA_data(...) from builtins.PyCapsule
get_CSA_data(rosetta.core.scoring.ChemicalShiftAnisotropy) -> rosetta.utility.vector1_core_scoring_CSA
 
get the raw CSA data

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class ContextGraph(rosetta.core.graph.Graph)
    
Method resolution order:
ContextGraph
rosetta.core.graph.Graph
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.ContextGraph) -> NoneType
 
2. __init__(self : rosetta.core.scoring.ContextGraph, num_nodes : int) -> NoneType
 
3. __init__(rosetta.core.scoring.ContextGraph, rosetta.core.scoring.ContextGraph) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ContextGraph, source : rosetta.core.scoring.ContextGraph) -> rosetta.core.scoring.ContextGraph
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.ContextGraph) -> rosetta.core.scoring.ContextGraph
conditionally_add_edge(...) from builtins.PyCapsule
conditionally_add_edge(self : rosetta.core.scoring.ContextGraph, lower_node_id : int, upper_node_id : int, dsq : float) -> NoneType
neighbor_cutoff(...) from builtins.PyCapsule
neighbor_cutoff(rosetta.core.scoring.ContextGraph) -> float
update_from_pose(...) from builtins.PyCapsule
update_from_pose(self : rosetta.core.scoring.ContextGraph, pose : rosetta.core.pose.Pose) -> NoneType

Methods inherited from rosetta.core.graph.Graph:
add_edge(...) from builtins.PyCapsule
add_edge(*args, **kwargs)
Overloaded function.
 
1. add_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
add an edge between two vertices.  Invokes "create_edge" from the derived class.
 Returns a pointer to the edge after its been added, allowing the calling function
 to immediately set data for this edge.
 
2. add_edge(self : rosetta.core.graph.Graph, example_edge : rosetta.core.graph.Edge) -> rosetta.core.graph.Edge
 
add an edge to this graph copying the data from an edge in another graph.
 Returns a pointer to the edge after its been added, allowing the calling function
 to immediately set data for this edge.
all_pairs_shortest_paths(...) from builtins.PyCapsule
all_pairs_shortest_paths(rosetta.core.graph.Graph) -> ObjexxFCL::FArray2D<int>
 
O(V^3).  Computes all pairs shortest paths using Warshall's algorithm
 and writes all the path distances to the two-dimensional table.
const_edge_list_begin(...) from builtins.PyCapsule
const_edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
const_edge_list_end(...) from builtins.PyCapsule
const_edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
copy_connectivity(...) from builtins.PyCapsule
copy_connectivity(self : rosetta.core.graph.Graph, source : rosetta.core.graph.Graph) -> NoneType
 
copy the edge connectivity from a source graph with a potentially
 unknown type.
delete_edge(...) from builtins.PyCapsule
delete_edge(self : rosetta.core.graph.Graph, edge : rosetta.core.graph.Edge) -> NoneType
 
remove an edge from the graph. (NEW AS OF 12/9/07) Never call C++'s
 "delete" function on an edge pointer directly.  Derived classes must implement this function.
 If they wish to use unordered_object_pools to manage their memory
drop_all_edges(...) from builtins.PyCapsule
drop_all_edges(rosetta.core.graph.Graph) -> NoneType
 
delete all the edges present in the graph
drop_all_edges_for_node(...) from builtins.PyCapsule
drop_all_edges_for_node(self : rosetta.core.graph.Graph, node : int) -> NoneType
 
delete all the edges for a single vertex in the graph
edge_list_begin(...) from builtins.PyCapsule
edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
edge_list_end(...) from builtins.PyCapsule
edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
find_edge(...) from builtins.PyCapsule
find_edge(*args, **kwargs)
Overloaded function.
 
1. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
returns a pointer to the edge connecting nodes node1 and node2, if that edge exists
 in the graph, o.w. returns 0.  Focuses the graph on this edge for fast subsequent retrieval.
 
2. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
returns a const pointer to the edge connecting nodes node1 and node2, if that edge exists
 in the graph, o.w. returns 0.  Focuses the graph on this edge for fast subsequent retrieval.
focused_edge(...) from builtins.PyCapsule
focused_edge(*args, **kwargs)
Overloaded function.
 
1. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
 
returns a pointer to the focused edge
 
2. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
 
returns a const-pointer to the focused edge
getTotalMemoryUsage(...) from builtins.PyCapsule
getTotalMemoryUsage(rosetta.core.graph.Graph) -> int
 
returns a count of all the memory used by every vertex and edge in a graph
 by invoking the polymorphic count_static_memory and count_dynamic_memory of each
 (possibly derived) node and edge object as well as for the (possibly derived) graph
 class.
get_edge_exists(...) from builtins.PyCapsule
get_edge_exists(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> bool
 
is an edge already present in the graph? O(V) worst case.  O(1) iff all vertices have O(1) edges
get_node(...) from builtins.PyCapsule
get_node(*args, **kwargs)
Overloaded function.
 
1. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
 
2. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
 
self pointers
 
2. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
num_edges(...) from builtins.PyCapsule
num_edges(rosetta.core.graph.Graph) -> int
num_nodes(...) from builtins.PyCapsule
num_nodes(rosetta.core.graph.Graph) -> int
 
the number of nodes in the graph
print_vertices(...) from builtins.PyCapsule
print_vertices(rosetta.core.graph.Graph) -> NoneType
 
send summary information to the screen for all vertices in the graph
set_num_nodes(...) from builtins.PyCapsule
set_num_nodes(self : rosetta.core.graph.Graph, num_nodes : int) -> NoneType
 
set the number of nodes in the graph -- deletes any existing edges in the graph

 
class ContextGraphFactory(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.ContextGraphFactory) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
create_context_graph(...) from builtins.PyCapsule
create_context_graph(type : rosetta.core.scoring.ContextGraphType) -> rosetta.core.scoring.ContextGraph

 
class ContextGraphType(builtins.object)
     Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(rosetta.core.scoring.ContextGraphType, rosetta.core.scoring.ContextGraphType) -> bool
__hash__(...) from builtins.PyCapsule
__hash__(rosetta.core.scoring.ContextGraphType) -> int
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.ContextGraphType, int) -> NoneType
 
2. __init__(rosetta.core.scoring.ContextGraphType, int) -> NoneType
__int__(...) from builtins.PyCapsule
__int__(rosetta.core.scoring.ContextGraphType) -> int
__ne__(...) from builtins.PyCapsule
__ne__(rosetta.core.scoring.ContextGraphType, rosetta.core.scoring.ContextGraphType) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__repr__(...) from builtins.PyCapsule
__repr__(rosetta.core.scoring.ContextGraphType) -> str

Data and other attributes defined here:
centroid_neighbor_graph = ContextGraphType.num_context_graph_types
num_context_graph_types = ContextGraphType.num_context_graph_types
ten_A_neighbor_graph = ContextGraphType.ten_A_neighbor_graph
twelve_A_neighbor_graph = ContextGraphType.twelve_A_neighbor_graph

 
class DC(builtins.object)
    //////////////////////////////////////////////
 
  Methods defined here:
DCcomputed(...) from builtins.PyCapsule
DCcomputed(*args, **kwargs)
Overloaded function.
 
1. DCcomputed(rosetta.core.scoring.DC) -> float
 
2. DCcomputed(rosetta.core.scoring.DC) -> float
DCerr(...) from builtins.PyCapsule
DCerr(rosetta.core.scoring.DC) -> float
DCval(...) from builtins.PyCapsule
DCval(rosetta.core.scoring.DC) -> float
Dconst(...) from builtins.PyCapsule
Dconst(rosetta.core.scoring.DC) -> float
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.DC) -> NoneType
 
2. __init__(self : rosetta.core.scoring.DC, res1 : int, atom1 : str, res2 : int, atom2 : str, DCval : float, DCerr : float, weight : float) -> NoneType
 
3. __init__(self : rosetta.core.scoring.DC,  : rosetta.core.scoring.DC) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.DC) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.DC,  : rosetta.core.scoring.DC) -> rosetta.core.scoring.DC
atom1(...) from builtins.PyCapsule
atom1(rosetta.core.scoring.DC) -> str
atom2(...) from builtins.PyCapsule
atom2(rosetta.core.scoring.DC) -> str
f1ij(...) from builtins.PyCapsule
f1ij(rosetta.core.scoring.DC) -> rosetta.numeric.xyzVector_double_t
f2ij(...) from builtins.PyCapsule
f2ij(rosetta.core.scoring.DC) -> rosetta.numeric.xyzVector_double_t
get_DC_data_type(...) from builtins.PyCapsule
get_DC_data_type(self : rosetta.core.scoring.DC, atom1 : str, atom2 : str) -> rosetta.core.scoring.DC_TYPE
res1(...) from builtins.PyCapsule
res1(rosetta.core.scoring.DC) -> int
res2(...) from builtins.PyCapsule
res2(rosetta.core.scoring.DC) -> int
set_weight(...) from builtins.PyCapsule
set_weight(self : rosetta.core.scoring.DC, w_in : float) -> NoneType
type(...) from builtins.PyCapsule
type(rosetta.core.scoring.DC) -> rosetta.core.scoring.DC_TYPE
weight(...) from builtins.PyCapsule
weight(rosetta.core.scoring.DC) -> float

Data descriptors defined here:
DCval_computed_
f1ij_
f2ij_

Data and other attributes defined here:
DC_TYPE = <class 'rosetta.core.scoring.DC.DC_TYPE'>
DC_TYPE_CC = DC_TYPE.DC_TYPE_CC
DC_TYPE_CH = DC_TYPE.DC_TYPE_CH
DC_TYPE_NC = DC_TYPE.DC_TYPE_NC
DC_TYPE_NH = DC_TYPE.DC_TYPE_NH

 
class DenseEnergyContainer(LREnergyContainer)
    ////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
DenseEnergyContainer
LREnergyContainer
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, size_in : int, score_type_in : rosetta.core.scoring.ScoreType) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.DenseEnergyContainer) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
any_neighbors_for_residue(...) from builtins.PyCapsule
any_neighbors_for_residue(self : rosetta.core.scoring.DenseEnergyContainer,  : int) -> bool
any_upper_neighbors_for_residue(...) from builtins.PyCapsule
any_upper_neighbors_for_residue(self : rosetta.core.scoring.DenseEnergyContainer, resid : int) -> bool
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.DenseEnergyContainer,  : rosetta.core.scoring.DenseEnergyContainer) -> rosetta.core.scoring.DenseEnergyContainer
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.DenseEnergyContainer) -> rosetta.core.scoring.LREnergyContainer
const_neighbor_iterator_begin(...) from builtins.PyCapsule
const_neighbor_iterator_begin(self : rosetta.core.scoring.DenseEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
 
///////////////// const versions
const_neighbor_iterator_end(...) from builtins.PyCapsule
const_neighbor_iterator_end(self : rosetta.core.scoring.DenseEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
const_upper_neighbor_iterator_begin(...) from builtins.PyCapsule
const_upper_neighbor_iterator_begin(self : rosetta.core.scoring.DenseEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
const_upper_neighbor_iterator_end(...) from builtins.PyCapsule
const_upper_neighbor_iterator_end(self : rosetta.core.scoring.DenseEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
empty(...) from builtins.PyCapsule
empty(rosetta.core.scoring.DenseEnergyContainer) -> bool
neighbor_iterator_begin(...) from builtins.PyCapsule
neighbor_iterator_begin(self : rosetta.core.scoring.DenseEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
 
///////////////// non-const versions
neighbor_iterator_end(...) from builtins.PyCapsule
neighbor_iterator_end(self : rosetta.core.scoring.DenseEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
set_num_nodes(...) from builtins.PyCapsule
set_num_nodes(self : rosetta.core.scoring.DenseEnergyContainer, size_in : int) -> NoneType
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.DenseEnergyContainer) -> int
upper_neighbor_iterator_begin(...) from builtins.PyCapsule
upper_neighbor_iterator_begin(self : rosetta.core.scoring.DenseEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
upper_neighbor_iterator_end(...) from builtins.PyCapsule
upper_neighbor_iterator_end(self : rosetta.core.scoring.DenseEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator

 
class DenseNeighborConstIterator(ResidueNeighborConstIterator)
    ////////////////////////////////////////////////////
 
 
Method resolution order:
DenseNeighborConstIterator
ResidueNeighborConstIterator
builtins.object

Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(self : rosetta.core.scoring.DenseNeighborConstIterator, other : rosetta.core.scoring.ResidueNeighborConstIterator) -> bool
__init__(...) from builtins.PyCapsule
__init__(self : handle, pos1_in : int, pos2_in : int, st : rosetta.core.scoring.ScoreType, table_in : ObjexxFCL::FArray2D<double>, computed_in : ObjexxFCL::FArray2D<bool>) -> NoneType
__ne__(...) from builtins.PyCapsule
__ne__(self : rosetta.core.scoring.DenseNeighborConstIterator, other : rosetta.core.scoring.ResidueNeighborConstIterator) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
accumulate_energy(...) from builtins.PyCapsule
accumulate_energy(self : rosetta.core.scoring.DenseNeighborConstIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.DenseNeighborConstIterator, src : rosetta.core.scoring.ResidueNeighborConstIterator) -> rosetta.core.scoring.ResidueNeighborConstIterator
energy_computed(...) from builtins.PyCapsule
energy_computed(rosetta.core.scoring.DenseNeighborConstIterator) -> bool
lower_neighbor_id(...) from builtins.PyCapsule
lower_neighbor_id(rosetta.core.scoring.DenseNeighborConstIterator) -> int
neighbor_id(...) from builtins.PyCapsule
neighbor_id(rosetta.core.scoring.DenseNeighborConstIterator) -> int
plus_plus(...) from builtins.PyCapsule
plus_plus(rosetta.core.scoring.DenseNeighborConstIterator) -> rosetta.core.scoring.ResidueNeighborConstIterator
residue_iterated_on(...) from builtins.PyCapsule
residue_iterated_on(rosetta.core.scoring.DenseNeighborConstIterator) -> int
retrieve_energy(...) from builtins.PyCapsule
retrieve_energy(self : rosetta.core.scoring.DenseNeighborConstIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
upper_neighbor_id(...) from builtins.PyCapsule
upper_neighbor_id(rosetta.core.scoring.DenseNeighborConstIterator) -> int

 
class DenseNeighborIterator(ResidueNeighborIterator)
    ////////////////////////////////////////////////////
 
 
Method resolution order:
DenseNeighborIterator
ResidueNeighborIterator
builtins.object

Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(self : rosetta.core.scoring.DenseNeighborIterator, other : rosetta.core.scoring.ResidueNeighborIterator) -> bool
__init__(...) from builtins.PyCapsule
__init__(self : handle, pos1_in : int, pos2_in : int, st : rosetta.core.scoring.ScoreType, table_in : ObjexxFCL::FArray2D<double>, computed_in : ObjexxFCL::FArray2D<bool>) -> NoneType
__ne__(...) from builtins.PyCapsule
__ne__(self : rosetta.core.scoring.DenseNeighborIterator, other : rosetta.core.scoring.ResidueNeighborIterator) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
accumulate_energy(...) from builtins.PyCapsule
accumulate_energy(self : rosetta.core.scoring.DenseNeighborIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.DenseNeighborIterator, src : rosetta.core.scoring.ResidueNeighborIterator) -> rosetta.core.scoring.ResidueNeighborIterator
energy_computed(...) from builtins.PyCapsule
energy_computed(rosetta.core.scoring.DenseNeighborIterator) -> bool
lower_neighbor_id(...) from builtins.PyCapsule
lower_neighbor_id(rosetta.core.scoring.DenseNeighborIterator) -> int
mark_energy_computed(...) from builtins.PyCapsule
mark_energy_computed(rosetta.core.scoring.DenseNeighborIterator) -> NoneType
mark_energy_uncomputed(...) from builtins.PyCapsule
mark_energy_uncomputed(rosetta.core.scoring.DenseNeighborIterator) -> NoneType
neighbor_id(...) from builtins.PyCapsule
neighbor_id(rosetta.core.scoring.DenseNeighborIterator) -> int
plus_plus(...) from builtins.PyCapsule
plus_plus(rosetta.core.scoring.DenseNeighborIterator) -> rosetta.core.scoring.ResidueNeighborIterator
residue_iterated_on(...) from builtins.PyCapsule
residue_iterated_on(rosetta.core.scoring.DenseNeighborIterator) -> int
retrieve_energy(...) from builtins.PyCapsule
retrieve_energy(self : rosetta.core.scoring.DenseNeighborIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
save_energy(...) from builtins.PyCapsule
save_energy(self : rosetta.core.scoring.DenseNeighborIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
upper_neighbor_id(...) from builtins.PyCapsule
upper_neighbor_id(rosetta.core.scoring.DenseNeighborIterator) -> int

 
class DerivVectorPair(builtins.object)
    A glorified struct for holding f1/f2 vectors used to represent the
derivatives in our internal-geometry based minimization algorithms.
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.DerivVectorPair) -> NoneType
 
2. __init__(self : rosetta.core.scoring.DerivVectorPair,  : rosetta.core.scoring.DerivVectorPair) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.DerivVectorPair,  : rosetta.core.scoring.DerivVectorPair) -> rosetta.core.scoring.DerivVectorPair
f1(...) from builtins.PyCapsule
f1(*args, **kwargs)
Overloaded function.
 
1. f1(rosetta.core.scoring.DerivVectorPair) -> rosetta.numeric.xyzVector_double_t
 
2. f1(rosetta.core.scoring.DerivVectorPair) -> rosetta.numeric.xyzVector_double_t
f2(...) from builtins.PyCapsule
f2(*args, **kwargs)
Overloaded function.
 
1. f2(rosetta.core.scoring.DerivVectorPair) -> rosetta.numeric.xyzVector_double_t
 
2. f2(rosetta.core.scoring.DerivVectorPair) -> rosetta.numeric.xyzVector_double_t

 
class DipolarCoupling(rosetta.basic.datacache.CacheableData)
    DipolarCouplings are mainly handled by this class
 
 
related classed: DC --- a single line in an DC file - representing a single dc coupling
                        DipolarCouplingEnergy -- an energy method which triggers computations handled by this class.
 
 
Method resolution order:
DipolarCoupling
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
doc
 
2. __init__(self : handle, filename : str) -> NoneType
 
3. __init__(handle, rosetta.core.scoring.DipolarCoupling) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.DipolarCoupling) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.DipolarCoupling, other : rosetta.core.scoring.DipolarCoupling) -> rosetta.core.scoring.DipolarCoupling
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.DipolarCoupling) -> rosetta.basic.datacache.CacheableData
compute_dcscore(...) from builtins.PyCapsule
compute_dcscore(self : rosetta.core.scoring.DipolarCoupling, pose : rosetta.core.pose.Pose) -> float
 
compute dc score for given pose (non-constant due to membrane)
get_DC_data(...) from builtins.PyCapsule
get_DC_data(rosetta.core.scoring.DipolarCoupling) -> rosetta.utility.vector1_core_scoring_DC
 
get the raw DC data

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class DockingScoreFunction(ScoreFunction)
    
Method resolution order:
DockingScoreFunction
ScoreFunction
builtins.object

Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.core.scoring.DockingScoreFunction, pose : rosetta.core.pose.Pose) -> float
 
//////////////////////////////////////////////////////////////////////////
__init__(...) from builtins.PyCapsule
__init__(handle) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(*args, **kwargs)
Overloaded function.
 
1. assign(self : rosetta.core.scoring.DockingScoreFunction, src : rosetta.core.scoring.ScoreFunction) -> NoneType
 
INTERNAL USE ONLY
 
2. assign(self : rosetta.core.scoring.DockingScoreFunction, src : rosetta.core.scoring.DockingScoreFunction) -> NoneType
 
INTERNAL USE ONLY
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.DockingScoreFunction) -> rosetta.core.scoring.ScoreFunction

Methods inherited from ScoreFunction:
__getitem__(...) from builtins.PyCapsule
__getitem__(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> float
 
Returns the weight of the ScoreType  <t>
 
 example(s):
     scorefxn[fa_sol]
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.ScoreFunction) -> str
add_extra_method(...) from builtins.PyCapsule
add_extra_method(*args, **kwargs)
Overloaded function.
 
1. add_extra_method(self : rosetta.core.scoring.ScoreFunction, new_type : rosetta.core.scoring.ScoreType, new_weight : float, new_method : core::scoring::methods::EnergyMethod) -> NoneType
 
Adds a scoring method that is not necessarily included in
 the core library
 
2. add_extra_method(self : rosetta.core.scoring.ScoreFunction, new_weights : rosetta.std.map_core_scoring_ScoreType_double, new_method : core::scoring::methods::EnergyMethod) -> NoneType
 
Adds a scoring method that is not necessarily included in
 the core library
add_weights_from_file(...) from builtins.PyCapsule
add_weights_from_file(self : rosetta.core.scoring.ScoreFunction, filename : str) -> NoneType
 
Initializes this ScoreFunction from the given  <filename>
all_energies_begin(...) from builtins.PyCapsule
all_energies_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::EnergyMethod const> const*, std::vector<std::shared_ptr<core::scoring::methods::EnergyMethod const>, std::allocator<std::shared_ptr<core::scoring::methods::EnergyMethod const> > > >
all_energies_end(...) from builtins.PyCapsule
all_energies_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::EnergyMethod const> const*, std::vector<std::shared_ptr<core::scoring::methods::EnergyMethod const>, std::allocator<std::shared_ptr<core::scoring::methods::EnergyMethod const> > > >
all_methods(...) from builtins.PyCapsule
all_methods(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_std_shared_ptr_const_core_scoring_methods_EnergyMethod_t
any_lr_residue_pair_energy(...) from builtins.PyCapsule
any_lr_residue_pair_energy(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, res1 : int, res2 : int) -> bool
apply_patch_from_file(...) from builtins.PyCapsule
apply_patch_from_file(self : rosetta.core.scoring.ScoreFunction, filename : str) -> NoneType
 
Applies a patch from the given  <filename>
are_they_neighbors(...) from builtins.PyCapsule
are_they_neighbors(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, pos1 : int, pos2 : int) -> bool
 
Returns true if the  <pose>  positions  <pos1>  and  <pos2>
 are neighbors
bump_check_backbone(...) from builtins.PyCapsule
bump_check_backbone(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Scores the sidechain from  <pose>  Residue  <rsd1>  against the
 backbone of Residue  <rsd2>
bump_check_full(...) from builtins.PyCapsule
bump_check_full(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
cd_1b_types(...) from builtins.PyCapsule
cd_1b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all cd 1b score types
cd_2b_begin(...) from builtins.PyCapsule
cd_2b_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> > > >
cd_2b_end(...) from builtins.PyCapsule
cd_2b_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> > > >
cd_2b_intrares_begin(...) from builtins.PyCapsule
cd_2b_intrares_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
cd_2b_intrares_end(...) from builtins.PyCapsule
cd_2b_intrares_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
cd_2b_types(...) from builtins.PyCapsule
cd_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all cd 2b score types
cd_lr_2b_methods_begin(...) from builtins.PyCapsule
cd_lr_2b_methods_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> > > >
cd_lr_2b_methods_end(...) from builtins.PyCapsule
cd_lr_2b_methods_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> > > >
cd_lr_2b_types(...) from builtins.PyCapsule
cd_lr_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
check_methods_in_right_order(...) from builtins.PyCapsule
check_methods_in_right_order(self : rosetta.core.scoring.ScoreFunction, score_type_in_first_method : rosetta.core.scoring.ScoreType, score_type_in_second_method : rosetta.core.scoring.ScoreType) -> bool
 
check order of methods
ci_1b_types(...) from builtins.PyCapsule
ci_1b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all ci 1b score types
ci_2b_begin(...) from builtins.PyCapsule
ci_2b_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> > > >
ci_2b_end(...) from builtins.PyCapsule
ci_2b_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> > > >
ci_2b_intrares_begin(...) from builtins.PyCapsule
ci_2b_intrares_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
ci_2b_intrares_end(...) from builtins.PyCapsule
ci_2b_intrares_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
ci_2b_types(...) from builtins.PyCapsule
ci_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all ci 2b score types
ci_lr_2b_methods_begin(...) from builtins.PyCapsule
ci_lr_2b_methods_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> > > >
ci_lr_2b_methods_end(...) from builtins.PyCapsule
ci_lr_2b_methods_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> > > >
ci_lr_2b_types(...) from builtins.PyCapsule
ci_lr_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
clone_as_base_class(...) from builtins.PyCapsule
clone_as_base_class(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.ScoreFunction
 
If you *want* to discard subclass information, the following function is availible
energy_method_options(...) from builtins.PyCapsule
energy_method_options(rosetta.core.scoring.ScoreFunction) -> core::scoring::methods::EnergyMethodOptions
 
Returns the EnergyMethodOptions object contained in this
 ScoreFunction (const access)
eval_cd_1b(...) from builtins.PyCapsule
eval_cd_1b(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted one body energies of all context
 dependent one body energies for  <pose>  Residue  <rsd>  into
 EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b(...) from builtins.PyCapsule
eval_cd_2b(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulate the unweighted short range context dependent two body
 interaction energies of  <pose>  between Residue  <rsd1>  and Residue
 <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b_bb_bb(...) from builtins.PyCapsule
eval_cd_2b_bb_bb(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short ranged context dependent two body
 interaction energies of  <pose>  between the backbones of Residue
 <rsd1>  and  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b_bb_sc(...) from builtins.PyCapsule
eval_cd_2b_bb_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short ranged context dependent two body
 interaction energies of  <pose>  between the backbone of Residue  <rsd1>
 and the sidechain of Residue  <rsd2>  into EnergyMap <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b_sc_sc(...) from builtins.PyCapsule
eval_cd_2b_sc_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short ranged context dependent two body
 interaction energies of  <pose>  between the sidechains of Residue
 <rsd1>  and Residue  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_intrares_energy(...) from builtins.PyCapsule
eval_cd_intrares_energy(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted intra-residue one body energies for all
 context dependent two body terms that define intra-residue energies of
 <pose>  Residue  <rsd>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_1b(...) from builtins.PyCapsule
eval_ci_1b(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
eval_ci_2b(...) from builtins.PyCapsule
eval_ci_2b(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted context independent two body
 interaction energies of  <pose>  between Residue  <rsd1>  and Residue
 <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_2b_bb_bb(...) from builtins.PyCapsule
eval_ci_2b_bb_bb(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted context independent two body
 interaction energies of  <pose>  between the backbones of Residue
 <rsd1>  and Residue  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_2b_bb_sc(...) from builtins.PyCapsule
eval_ci_2b_bb_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short range context independent two
 body interaction energies of  <pose>  between the backbone of Residue
 <rsd1>  and the sidechain of Residue  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_2b_sc_sc(...) from builtins.PyCapsule
eval_ci_2b_sc_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short range context dependent two body
 interaction energies of  <pose>  between the sidechains of Residue  <rsd1>
 and Residue  <rsd2>  into Energymap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_intrares_energy(...) from builtins.PyCapsule
eval_ci_intrares_energy(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted intra-residue one body energies for all
 context independent two body terms that define intra-residue energies of
 <pose>  Residue  <rsd>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_dof_derivative(...) from builtins.PyCapsule
eval_dof_derivative(self : rosetta.core.scoring.ScoreFunction, dof_id : rosetta.core.id.DOF_ID, torsion_id : core::id::TorsionID, pose : rosetta.core.pose.Pose) -> float
eval_intrares_energy(...) from builtins.PyCapsule
eval_intrares_energy(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates for rsd the unweighted intra-residue one body energies
 for all context dependent and context independent two body terms that
 define intra-residue energies
 
 
: EnergyMap is an EMapVector
eval_long_range_twobody_energies(...) from builtins.PyCapsule
eval_long_range_twobody_energies(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
eval_npd_atom_derivative(...) from builtins.PyCapsule
eval_npd_atom_derivative(self : rosetta.core.scoring.ScoreFunction, atom_id : rosetta.core.id.AtomID, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
eval_onebody_energies(...) from builtins.PyCapsule
eval_onebody_energies(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
eval_twobody_neighbor_energies(...) from builtins.PyCapsule
eval_twobody_neighbor_energies(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
evaluate_rotamer_background_energies(...) from builtins.PyCapsule
evaluate_rotamer_background_energies(self : rosetta.core.scoring.ScoreFunction, set1 : rosetta.core.conformation.RotamerSetBase, residue2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, energy_vector : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_intrares_energies(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energies(self : rosetta.core.scoring.ScoreFunction, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, energies : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_intrares_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energy_maps(self : rosetta.core.scoring.ScoreFunction, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
evaluate_rotamer_pair_energies(...) from builtins.PyCapsule
evaluate_rotamer_pair_energies(self : rosetta.core.scoring.ScoreFunction, set1 : rosetta.core.conformation.RotamerSetBase, set2 : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, energy_table : ObjexxFCL::FArray2D<float>) -> NoneType
finalize_after_derivatives(...) from builtins.PyCapsule
finalize_after_derivatives(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
get_name(...) from builtins.PyCapsule
get_name(rosetta.core.scoring.ScoreFunction) -> str
get_nonzero_weighted_scoretypes(...) from builtins.PyCapsule
get_nonzero_weighted_scoretypes(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Returns a list of the ScoreTypes which are non-zero with
 their current weights
 
 example(s):
     scorefxn.get_nonzero_weighted_scoretypes()
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.ScoreFunction
 
self pointers
 
2. get_self_ptr(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.ScoreFunction
get_sub_score(...) from builtins.PyCapsule
get_sub_score(*args, **kwargs)
Overloaded function.
 
1. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool) -> float
 
Compute the score for subset of residues
 
2. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
 
3. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool) -> float
 
Compute the score for subset of residues
 
4. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
get_sub_score_exclude_res(...) from builtins.PyCapsule
get_sub_score_exclude_res(*args, **kwargs)
Overloaded function.
 
1. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long) -> float
 
Compute the score for subset of residues
 
2. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
 
3. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long) -> float
 
Compute the score for subset of residues
 
4. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
get_weight(...) from builtins.PyCapsule
get_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> float
 
Returns the weight for ScoreType  <t>
 
 examples(s):
     scorefxn.get_weight(fa_sol)
 See also:
     ScoreFunction
     ScoreFunction.set_weight
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
has_nonzero_weight(...) from builtins.PyCapsule
has_nonzero_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> bool
 
Returns true if the ScoreType  <t>  has a non-zero weight
 
 example(s):
     scorefxn.has_nonzero_weight(fa_sol)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.has_zero_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
has_zero_weight(...) from builtins.PyCapsule
has_zero_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> bool
 
Returns true if the ScoreType  <t>  has a weight of zero,
 
 example(s):
     scorefxn.has_zero_weight(fa_sol)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.has_nonzero_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
indicate_required_context_graphs(...) from builtins.PyCapsule
indicate_required_context_graphs(self : rosetta.core.scoring.ScoreFunction, context_graphs_required : rosetta.utility.vector1_bool) -> NoneType
 
find which context graphs the energy methods require
info(...) from builtins.PyCapsule
info(rosetta.core.scoring.ScoreFunction) -> core::scoring::ScoreFunctionInfo
 
return an object to describe abstractly the methods contained in this
 ScoreFunction so that class Energies can ensure that the ScoreFunction is
 properly evaluated (ie, no obsolete cashed data is used )
initialize_from_file(...) from builtins.PyCapsule
initialize_from_file(self : rosetta.core.scoring.ScoreFunction, filename : str) -> NoneType
 
Resets everything before reading the  <filename>
long_range_energies_begin(...) from builtins.PyCapsule
long_range_energies_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> > > >
long_range_energies_end(...) from builtins.PyCapsule
long_range_energies_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> > > >
max_atomic_interaction_cutoff(...) from builtins.PyCapsule
max_atomic_interaction_cutoff(rosetta.core.scoring.ScoreFunction) -> float
 
Returns the largest atomic interaction cutoff required by the
 EnergyMethods
merge(...) from builtins.PyCapsule
merge(self : rosetta.core.scoring.ScoreFunction, scorefxn_to_be_merged : rosetta.core.scoring.ScoreFunction) -> NoneType
 
Merges in the weights of another score function
 
 example(s):
     scorefxn.merge(scorefxn2)
 See also:
     ScoreFunction
     ScoreFunction.weights
     Energies
     create_score_function
name(...) from builtins.PyCapsule
name(self : rosetta.core.scoring.ScoreFunction, weights_tag : str) -> NoneType
 
Accumulates the unweighted one body energies of all context
 independent one body energies for  <pose>  Residue  <rsd>  into
 EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
perturb_weights(...) from builtins.PyCapsule
perturb_weights(rosetta.core.scoring.ScoreFunction) -> NoneType
 
Randomly perturbs non-zero score function weights
prepare_rotamers_for_packing(...) from builtins.PyCapsule
prepare_rotamers_for_packing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, set : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
Lets the scoring functions cache anything they need to rapidly
 calculate rotamer pair energies used in packing (like a trie, e.g.)
ready_for_nonideal_scoring(...) from builtins.PyCapsule
ready_for_nonideal_scoring(rosetta.core.scoring.ScoreFunction) -> bool
reinitialize_minnode_for_residue(...) from builtins.PyCapsule
reinitialize_minnode_for_residue(self : rosetta.core.scoring.ScoreFunction, min_node : core::scoring::MinimizationNode, rsd : rosetta.core.conformation.Residue, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose) -> NoneType
reset(...) from builtins.PyCapsule
reset(rosetta.core.scoring.ScoreFunction) -> NoneType
 
Resets the ScoreFunction to default values
reset_energy_methods(...) from builtins.PyCapsule
reset_energy_methods(rosetta.core.scoring.ScoreFunction) -> NoneType
score(...) from builtins.PyCapsule
score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> float
 
Scores the given  <pose>  using this ScoreFunction. Alters the
 Energies object within  <pose>, but does not alter this ScoreFunction
 
 
: Synonym for () operator. Makes code look a little nicer. Doesn't
 do anything but call () operator.
score_by_scoretype(...) from builtins.PyCapsule
score_by_scoretype(*args, **kwargs)
Overloaded function.
 
1. score_by_scoretype(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, t : rosetta.core.scoring.ScoreType) -> float
 
Returns the score of the ScoreType  <t>
 
2. score_by_scoretype(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, t : rosetta.core.scoring.ScoreType, weighted : bool) -> float
 
Returns the score of the ScoreType  <t>
score_types_by_method_type(...) from builtins.PyCapsule
score_types_by_method_type(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.methods.EnergyMethodType) -> rosetta.utility.vector1_core_scoring_ScoreType
serialize_weights(...) from builtins.PyCapsule
serialize_weights(rosetta.core.scoring.ScoreFunction) -> str
 
Serializes the non-zero score function term weights
 Format: { term : weight, ... }
set_energy_method_options(...) from builtins.PyCapsule
set_energy_method_options(self : rosetta.core.scoring.ScoreFunction, energy_method_options_in : core::scoring::methods::EnergyMethodOptions) -> NoneType
 
Sets the EnergyMethodOptions object contained in this ScoreFunction.
 with appropriate update of all the energy methods.
set_etable(...) from builtins.PyCapsule
set_etable(self : rosetta.core.scoring.ScoreFunction, etable_name : str) -> NoneType
 
Given a  <filename> (represented by a std::string), set the
 e_table for this ScoreFunction.
set_method_weights(...) from builtins.PyCapsule
set_method_weights(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType, wts : rosetta.utility.vector1_double) -> NoneType
set_weight(...) from builtins.PyCapsule
set_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
 
Sets the weight for ScoreType  <t>  to  <setting>
 
 example(s):
     scorefxn.set_weight(fa_sol,.5)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
set_weight_if_zero(...) from builtins.PyCapsule
set_weight_if_zero(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
 
Sets the weight for ScoreType  <t>  to  <setting> if weight is originally zero
 
 example(s):
     scorefxn.set_weight_if_zero(fa_sol,.5)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
setup_for_lr2benmeth_minimization_for_respair(...) from builtins.PyCapsule
setup_for_lr2benmeth_minimization_for_respair(*args, **kwargs)
Overloaded function.
 
1. setup_for_lr2benmeth_minimization_for_respair(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, lr2benergy : core::scoring::methods::LongRangeTwoBodyEnergy, g : core::scoring::MinimizationGraph, min_map : core::kinematics::MinimizerMapBase, p : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, rni : core::scoring::ResidueNeighborConstIterator, fixed_energies : rosetta.core.scoring.EMapVector) -> NoneType
 
Initialize an edge in the MinimizationGraph with a particular long-range two body
 
2. setup_for_lr2benmeth_minimization_for_respair(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, lr2benergy : core::scoring::methods::LongRangeTwoBodyEnergy, g : core::scoring::MinimizationGraph, min_map : core::kinematics::MinimizerMapBase, p : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, rni : core::scoring::ResidueNeighborConstIterator, fixed_energies : rosetta.core.scoring.EMapVector, edge_weight : float) -> NoneType
 
Initialize an edge in the MinimizationGraph with a particular long-range two body
 
3. setup_for_lr2benmeth_minimization_for_respair(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, lr2benergy : core::scoring::methods::LongRangeTwoBodyEnergy, g : core::scoring::MinimizationGraph, min_map : core::kinematics::MinimizerMapBase, p : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, rni : core::scoring::ResidueNeighborConstIterator, fixed_energies : rosetta.core.scoring.EMapVector, edge_weight : float, edge_dweight : float) -> NoneType
 
Initialize an edge in the MinimizationGraph with a particular long-range two body
setup_for_minimizing(...) from builtins.PyCapsule
setup_for_minimizing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, min_map : core::kinematics::MinimizerMapBase) -> NoneType
 
Initializes a MinimizationGraph and caches it in
 Energies object of  <pose>
 
 
: for use during minimization
setup_for_minimizing_for_node(...) from builtins.PyCapsule
setup_for_minimizing_for_node(self : rosetta.core.scoring.ScoreFunction, min_node : core::scoring::MinimizationNode, rsd : rosetta.core.conformation.Residue, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose, accumulate_fixed_energies : bool, fixed_energies : rosetta.core.scoring.EMapVector) -> NoneType
 
Initialize a single node of a MinimizationGraph with the one-body and two-body
 energy methods that are held within this ScoreFunction object.
setup_for_minimizing_sr2b_enmeths_for_minedge(...) from builtins.PyCapsule
setup_for_minimizing_sr2b_enmeths_for_minedge(*args, **kwargs)
Overloaded function.
 
1. setup_for_minimizing_sr2b_enmeths_for_minedge(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, min_edge : core::scoring::MinimizationEdge, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, energy_edge : core::scoring::EnergyEdge, fixed_energies : rosetta.core.scoring.EMapVector) -> NoneType
 
Initialize a single MinimizationEdge for a particular part of residues, storing
 sr2b energy method pointers on the edge for those sr2b energy methods in this ScoreFunction
 
2. setup_for_minimizing_sr2b_enmeths_for_minedge(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, min_edge : core::scoring::MinimizationEdge, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, energy_edge : core::scoring::EnergyEdge, fixed_energies : rosetta.core.scoring.EMapVector, edge_weight : float) -> NoneType
 
Initialize a single MinimizationEdge for a particular part of residues, storing
 sr2b energy method pointers on the edge for those sr2b energy methods in this ScoreFunction
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residues_repacking : rosetta.utility.vector1_bool, residues_designing : rosetta.utility.vector1_bool) -> NoneType
 
Lets the scoring functions cache anything they need to calculate
 energies in a packing step (rotamer_trials or pack_rotamers)
 
 
: the Etable caches tries for each of the residues, the
 hydrogen bond function caches backbone/backbone hydrogen bonds
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
 
For external scorers: Let the energy methods prepare for
 evaluating their scores on a particular structure
 
 
: invoked during scoring.
show(...) from builtins.PyCapsule
show(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
 
Scores  <pose>  and shows the raw and weighted scores for each
 non-zero ScoreType
 
 
: this function is mostly for convenience in PyRosetta
 
 example(s):
     scorefxn.show(pose)
 See also:
     ScoreFunction
     ScoreFunction.weights
     Energies
     create_score_function
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, resid : int) -> NoneType
 
If inside packing, the pose changes conformation, inform the
 scoring functions that any data they have cached in the Energies object
 is out of date. In particular, this is to update the trie(s) during
 rotamer trials.
weights(...) from builtins.PyCapsule
weights(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.EMapVector
 
Returns an EnergyMap of the current set of weights
 
 example(s):
     scorefxn.weights()
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
whole_structure_types(...) from builtins.PyCapsule
whole_structure_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
ws_methods_begin(...) from builtins.PyCapsule
ws_methods_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::WholeStructureEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> > > >
ws_methods_end(...) from builtins.PyCapsule
ws_methods_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::WholeStructureEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> > > >

 
class EMapVector(builtins.object)
    A vector for storing energy data, initially all values are 0
 
 
: several methods using EMapVector objects add in values,
 be sure to use the zero method between uses
 
 Common Methods:
     EMapVector.zero
 
  Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(self : rosetta.core.scoring.EMapVector, src : rosetta.core.scoring.EMapVector) -> bool
 
== operator for comparing two energy maps element by element
__getitem__(...) from builtins.PyCapsule
__getitem__(*args, **kwargs)
Overloaded function.
 
1. __getitem__(self : rosetta.core.scoring.EMapVector, st : rosetta.core.scoring.ScoreType) -> float
 
[] operator for getting a non-const reference to the energy for a ScoreType
 
2. __getitem__(self : rosetta.core.scoring.EMapVector, st : rosetta.core.scoring.ScoreType) -> float
 
[] operator for getting the value for a ScoreType
__imul__(...) from builtins.PyCapsule
__imul__(*args, **kwargs)
Overloaded function.
 
1. __imul__(self : rosetta.core.scoring.EMapVector, scalar : float) -> NoneType
 
*= operator, for performing multiplication of a vector by a scalar
 
2. __imul__(self : rosetta.core.scoring.EMapVector, src : rosetta.core.scoring.EMapVector) -> NoneType
 
*= operator, for performing element-by-element multiplication of two vectors
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.EMapVector) -> NoneType
 
2. __init__(self : rosetta.core.scoring.EMapVector, src : rosetta.core.scoring.EMapVector) -> NoneType
__ne__(...) from builtins.PyCapsule
__ne__(self : rosetta.core.scoring.EMapVector, src : rosetta.core.scoring.EMapVector) -> bool
 
!= operator for comparing two energy maps element by element
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.EMapVector) -> str
accumulate(...) from builtins.PyCapsule
accumulate(*args, **kwargs)
Overloaded function.
 
1. accumulate(self : rosetta.core.scoring.EMapVector, src : rosetta.core.scoring.EMapVector, l : rosetta.utility.vector1_core_scoring_ScoreType) -> NoneType
 
accumulate a subset of the positions
 
2. accumulate(self : rosetta.core.scoring.EMapVector, src : rosetta.core.scoring.EMapVector, l : rosetta.utility.vector1_core_scoring_ScoreType, wt : float) -> NoneType
 
accumulate a subset of the positions with a common weight factor
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.EMapVector, rhs : rosetta.core.scoring.EMapVector) -> rosetta.core.scoring.EMapVector
begin(...) from builtins.PyCapsule
begin(*args, **kwargs)
Overloaded function.
 
1. begin(rosetta.core.scoring.EMapVector) -> float
 
const-iterator to the begining of the vector of energies
 
2. begin(rosetta.core.scoring.EMapVector) -> float
 
non-const-iterator to the begining of the vector of energies
clear(...) from builtins.PyCapsule
clear(rosetta.core.scoring.EMapVector) -> NoneType
 
Set every value to zero
 
 example(s):
     emap.zero()
 See also:
     EMapVector
     EMapVector.get
     EMapVector.set
     ScoreFunction
     create_score_function
dot(...) from builtins.PyCapsule
dot(*args, **kwargs)
Overloaded function.
 
1. dot(self : rosetta.core.scoring.EMapVector, src : rosetta.core.scoring.EMapVector) -> float
 
Returns the dot product of this object with EMapVector  <src>
 
 
: useful for multiplying weights with scores
 
 example(s):
     we = scorefxn.weights()
     emap.dot(we)
 See also:
     EMapVector
     ScoreFunction
     ScoreFunction.weights
     create_score_function
 
2. dot(self : rosetta.core.scoring.EMapVector, src : rosetta.core.scoring.EMapVector, l : rosetta.utility.vector1_core_scoring_ScoreType) -> float
 
dot product of two EMapVectors
 over a subset of the score types
end(...) from builtins.PyCapsule
end(*args, **kwargs)
Overloaded function.
 
1. end(rosetta.core.scoring.EMapVector) -> float
 
const-iterator to the end of the vector of energies
 
2. end(rosetta.core.scoring.EMapVector) -> float
 
non-const-iterator to the end of the vector of energies
get(...) from builtins.PyCapsule
get(self : rosetta.core.scoring.EMapVector, st : rosetta.core.scoring.ScoreType) -> float
 
Returns the value for ScoreType  <st>
 
 example(s):
     emap.get(fa_sol)
 See also:
     EMapVector
     EMapVector.set
     ScoreFunction
     create_score_function
norm_squared(...) from builtins.PyCapsule
norm_squared(self : rosetta.core.scoring.EMapVector, l : rosetta.utility.vector1_core_scoring_ScoreType) -> float
 
accumulate the squared values of a subset of the positions
print(...) from builtins.PyCapsule
print(rosetta.core.scoring.EMapVector) -> NoneType
 
print the contents of an emap vector to standard out
set(...) from builtins.PyCapsule
set(self : rosetta.core.scoring.EMapVector, st : rosetta.core.scoring.ScoreType, val : float) -> float
 
Sets the value for ScoreType  <st>  to  <val>
 
 example(s):
     emap.set(fa_sol,13.37)
 See also:
     EMapVector
     EMapVector.get
     ScoreFunction
     create_score_function
show_nonzero(...) from builtins.PyCapsule
show_nonzero(rosetta.core.scoring.EMapVector) -> str
 
convert the non-zero positions of the energy map to a string
sum(...) from builtins.PyCapsule
sum(rosetta.core.scoring.EMapVector) -> float
 
Returns the sum of this vector
 
 example(s):
     emap.sum()
 See also:
     EMapVector
     EMapVector.get
     EMapVector.set
     ScoreFunction
     create_score_function
weighted_string_of(...) from builtins.PyCapsule
weighted_string_of(self : rosetta.core.scoring.EMapVector, weights : rosetta.core.scoring.EMapVector) -> str
 
convert the weighted energies in this energy map to a string
 for those score types that have non-zero values in the "weights" energy map.
zero(...) from builtins.PyCapsule
zero(*args, **kwargs)
Overloaded function.
 
1. zero(self : rosetta.core.scoring.EMapVector, l : rosetta.utility.vector1_core_scoring_ScoreType) -> NoneType
 
Zero a subset of the positions, as in calibrating a scale
 
2. zero(rosetta.core.scoring.EMapVector) -> NoneType
 
Set every value to zero
 
 example(s):
     emap.zero()
 See also:
     EMapVector
     EMapVector.get
     EMapVector.set
     ScoreFunction
     create_score_function

 
class Energies(builtins.object)
    Stores total, residue, and residue-pair energies, as well as
residue neighbor information.
 
  Meant to replace fullatom_energies:: namespace.
 
  Stores residue neighbor information as well as cached residue
pair energies in O(N) space using a graph.
 
  Also stores a DomainMap object which is used during scoring
to know which rsd pairs have changed relative orientation and
which residues have changed internally
 
  We distinguish between two kinds of per-residue (1D) energy:
onebody residue energies and twobody residue energies. Onebody
residue energies are things like dunbrack, intrares, Paa, which
depend only on the state of the residue in question. Twobody
residue energies (like the residue atr energy) are summations
of twobody interactions involving a single residue. The onebody
energies can be reused at positions whose internal phi/psi/chi
conformation hasn't changed. Twobody residue energies, on the other
hand must be invalidated if the structure has changed at all.
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.Energies) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.Energies) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.Energies, rhs : rosetta.core.scoring.Energies) -> rosetta.core.scoring.Energies
clear(...) from builtins.PyCapsule
clear(rosetta.core.scoring.Energies) -> NoneType
 
kill everything (that nobody forgot about)
clear_energies(...) from builtins.PyCapsule
clear_energies(rosetta.core.scoring.Energies) -> NoneType
 
for debugging -- forget all stored energies, does not change size
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.Energies) -> rosetta.core.scoring.Energies
context_graph(...) from builtins.PyCapsule
context_graph(*args, **kwargs)
Overloaded function.
 
1. context_graph(self : rosetta.core.scoring.Energies, type : rosetta.core.scoring.ContextGraphType) -> core::scoring::ContextGraph
 
2. context_graph(self : rosetta.core.scoring.Energies, type : rosetta.core.scoring.ContextGraphType) -> core::scoring::ContextGraph
data(...) from builtins.PyCapsule
data(*args, **kwargs)
Overloaded function.
 
1. data(rosetta.core.scoring.Energies) -> rosetta.basic.datacache.BasicDataCache
 
BasicDataCache indexed by enum in core/scoring/EnergiesCacheableDataType.hh
 
2. data(rosetta.core.scoring.Energies) -> rosetta.basic.datacache.BasicDataCache
 
BasicDataCache indexed by enum in core/scoring/EnergiesCacheableDataType.hh
discard_conformation_domain_map(...) from builtins.PyCapsule
discard_conformation_domain_map(rosetta.core.scoring.Energies) -> bool
 
instructs Pose whether the domain map info in the Conformation object should be discarded
domain_map(...) from builtins.PyCapsule
domain_map(*args, **kwargs)
Overloaded function.
 
1. domain_map(self : rosetta.core.scoring.Energies, pos : int) -> int
 
Return the color assigned to a particular residue (index = pos) as held in the
 domain map describing how this residue has moved with respect to the other residues in the
 pose.
 
 CAUTION new behavior: domain_map may not return 0 for residues that have undergone internal
 degree of freedom changes since the last scoring.  Ask the res_moved() method for that information
 
2. domain_map(rosetta.core.scoring.Energies) -> ObjexxFCL::FArray1D<int>
 
Read access for the domain map.
energies_updated(...) from builtins.PyCapsule
energies_updated(rosetta.core.scoring.Energies) -> bool
 
Returns true if the score is up-to-date
 
 example(s):
     pose.energies().energies_updated()
 See also:
     Energies
     Energies.residue_total_energy
     Energies.residue_total_energies
     Pose
     ScoreFunction
     ScoreFunction.show
     create_score_function
energy_graph(...) from builtins.PyCapsule
energy_graph(*args, **kwargs)
Overloaded function.
 
1. energy_graph(rosetta.core.scoring.Energies) -> core::scoring::EnergyGraph
 
Read access to the EnergyGraph.
 
2. energy_graph(rosetta.core.scoring.Energies) -> core::scoring::EnergyGraph
 
Write access to the EnergyGraph.
finalized_energies(...) from builtins.PyCapsule
finalized_energies(*args, **kwargs)
Overloaded function.
 
1. finalized_energies(rosetta.core.scoring.Energies) -> rosetta.core.scoring.EMapVector
 
Read access to the components of the "finalized" energies;
 These will include any score component calculated in the finalize
 phase of score function evaluation.  These energies are copied
 between Energies objects, and are not evaluated during the component-
 energy update.
 
2. finalized_energies(rosetta.core.scoring.Energies) -> rosetta.core.scoring.EMapVector
 
Write access to the components of the "finalized" energies.
 This access is intended only for the ScoreFunction.
get_scorefxn_info(...) from builtins.PyCapsule
get_scorefxn_info(rosetta.core.scoring.Energies) -> core::scoring::ScoreFunctionInfo
 
get scorefxn info
long_range_container(...) from builtins.PyCapsule
long_range_container(self : rosetta.core.scoring.Energies,  : rosetta.core.scoring.methods.LongRangeEnergyType) -> core::scoring::LREnergyContainer
minimization_graph(...) from builtins.PyCapsule
minimization_graph(*args, **kwargs)
Overloaded function.
 
1. minimization_graph(rosetta.core.scoring.Energies) -> core::scoring::MinimizationGraph
 
2. minimization_graph(rosetta.core.scoring.Energies) -> core::scoring::MinimizationGraph
nblist(...) from builtins.PyCapsule
nblist(self : rosetta.core.scoring.Energies, type : rosetta.core.scoring.EnergiesCacheableDataType.Enum) -> core::scoring::NeighborList
nonconst_long_range_container(...) from builtins.PyCapsule
nonconst_long_range_container(self : rosetta.core.scoring.Energies,  : rosetta.core.scoring.methods.LongRangeEnergyType) -> core::scoring::LREnergyContainer
onebody_energies(...) from builtins.PyCapsule
onebody_energies(*args, **kwargs)
Overloaded function.
 
1. onebody_energies(self : rosetta.core.scoring.Energies, seqpos : int) -> rosetta.core.scoring.EMapVector
 
Read access to the components of the one-body energies.
 
2. onebody_energies(self : rosetta.core.scoring.Energies, seqpos : int) -> rosetta.core.scoring.EMapVector
 
Write access to the components of the one-body energies.
 This access is intended only for the ScoreFunction.
require_context_graph(...) from builtins.PyCapsule
require_context_graph(self : rosetta.core.scoring.Energies,  : rosetta.core.scoring.ContextGraphType) -> NoneType
 
Allows non-scorefunction components of Rosetta to impose requirements on
 the context graphs that this object maintains.
res_moved(...) from builtins.PyCapsule
res_moved(self : rosetta.core.scoring.Energies, seqpos : int) -> bool
 
check if rsd has changed internal conformation, necessitating,  recomputation of 1d energies like dun,intra,prob,etc
reset_nblist(...) from builtins.PyCapsule
reset_nblist(rosetta.core.scoring.Energies) -> NoneType
reset_res_moved(...) from builtins.PyCapsule
reset_res_moved(self : rosetta.core.scoring.Energies, seqpos : int) -> NoneType
residue_neighbors_updated(...) from builtins.PyCapsule
residue_neighbors_updated(rosetta.core.scoring.Energies) -> bool
residue_total_energies(...) from builtins.PyCapsule
residue_total_energies(self : rosetta.core.scoring.Energies, seqpos : int) -> rosetta.core.scoring.EMapVector
 
Returns the unweighted total_energies EnergyMap for
 Residue  <seqpos>
 
 
: only evaluated when requested (lazy!), inaccessible during
 minimization, EnergyMap is an EMapVector
 
 example(s):
     r3 = pose.energies().residue_total_energies(3)
     r3[fa_sol]
 See also:
     Energies
     Energies.residue_total_energy
     Pose
     ScoreFunction
     ScoreFunction.show
     create_score_function
     EMapVector
residue_total_energy(...) from builtins.PyCapsule
residue_total_energy(self : rosetta.core.scoring.Energies, seqpos : int) -> float
 
Returns the weighted total energy of residue  <seqpos>
 
 example(s):
     pose.energies().residue_total_energy(3)
 See also:
     Energies
     Energies.residue_total_energies
     Pose
     ScoreFunction
     ScoreFunction.show
     create_score_function
same_type_as_me(...) from builtins.PyCapsule
same_type_as_me(*args, **kwargs)
Overloaded function.
 
1. same_type_as_me(self : rosetta.core.scoring.Energies, other : rosetta.core.scoring.Energies) -> bool
 
determine whether my type is the same as another Conformation's
 
2. same_type_as_me(self : rosetta.core.scoring.Energies, other : rosetta.core.scoring.Energies, recurse : bool) -> bool
 
determine whether my type is the same as another Conformation's
scoring(...) from builtins.PyCapsule
scoring(rosetta.core.scoring.Energies) -> bool
 
are we in the midst of a scoring calculation?
scoring_begin(...) from builtins.PyCapsule
scoring_begin(self : rosetta.core.scoring.Energies, sfxn : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
 
Notification of the start of a scoring calculation.
scoring_end(...) from builtins.PyCapsule
scoring_end(self : rosetta.core.scoring.Energies, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
 
signal from the scorefxn that scoring is over
set_long_range_container(...) from builtins.PyCapsule
set_long_range_container(self : rosetta.core.scoring.Energies,  : rosetta.core.scoring.methods.LongRangeEnergyType,  : core::scoring::LREnergyContainer) -> NoneType
set_minimization_graph(...) from builtins.PyCapsule
set_minimization_graph(self : rosetta.core.scoring.Energies,  : core::scoring::MinimizationGraph) -> NoneType
set_nblist(...) from builtins.PyCapsule
set_nblist(self : rosetta.core.scoring.Energies, type : rosetta.core.scoring.EnergiesCacheableDataType.Enum, nblist_in : core::scoring::NeighborList) -> NoneType
set_owner(...) from builtins.PyCapsule
set_owner(self : rosetta.core.scoring.Energies, owner : rosetta.core.pose.Pose) -> NoneType
 
Pose must claim its Energies object; this should happen once,
 at the time the Pose is allocated.  Future copying of the Energies object
 will not change ownership.  The purpose of ownership is to allow lazy context-graph
 creation.  When context graphs are requested that have not been created, they
 must be created and their edges must be updated to represent the current conformation
 of the pose.
set_use_nblist(...) from builtins.PyCapsule
set_use_nblist(self : rosetta.core.scoring.Energies, pose : rosetta.core.pose.Pose, domain_map_in : ObjexxFCL::FArray1D<int>, use_nblist_auto_update : bool) -> NoneType
show(...) from builtins.PyCapsule
show(*args, **kwargs)
Overloaded function.
 
1. show(rosetta.core.scoring.Energies) -> NoneType
 
2. show(self : rosetta.core.scoring.Energies, res : int) -> NoneType
 
Shows the energy information of residue  <seqpos>
 
 
: wrapper function of energies.show(Size) for Pyrosetta
 
 example(s):
     pose.energies().show(3)
 See also:
     Energies
     Energies.residue_total_energies
     Energies.residue_total_energy
     Pose
     ScoreFunction
     ScoreFunction.show
     create_score_function
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.Energies) -> int
 
Returns the number of held residue energies
 
 example(s):
     r3 = pose.energies().residue_total_energies(3)
     r3[fa_sol]
 See also:
     Energies
     Energies.residue_total_energies
     Energies.residue_total_energy
     Pose
     ScoreFunction
     ScoreFunction.show
     create_score_function
structure_has_moved(...) from builtins.PyCapsule
structure_has_moved(self : rosetta.core.scoring.Energies, nres : int) -> NoneType
 
called (eg by pose) to notify us of a change to the structure
 
        Triggers clearing of the total energies and the twobody rsd energies
        PHIL -- should also mark the neighbor links as invalid somehow...
        Called by pose when someone tries to access us, if the Conformation
        indicates that the structure has moved since the last score evaluation
 
        const b/c called inside const access methods
tenA_neighbor_graph(...) from builtins.PyCapsule
tenA_neighbor_graph(*args, **kwargs)
Overloaded function.
 
1. tenA_neighbor_graph(rosetta.core.scoring.Energies) -> core::scoring::TenANeighborGraph
 
get the graph encoding # neighbors within 10 Angstroms
 If the graph has not been requested up until this point, then it will
 be instantiated and filled.  If the pose has changed size since the last
 score function evaluation (or if the pose has never been scored) this
 function will exit.
 
2. tenA_neighbor_graph(rosetta.core.scoring.Energies) -> core::scoring::TenANeighborGraph
 
Write access to the graph encoding # neighbors within 10 Angstroms
 If the graph has not been requested up until this point, then it will
 be instantiated and filled.  If the pose has changed size since the last
 score function evaluation (or if the pose has never been scored) this
 function will exit.
total_energies(...) from builtins.PyCapsule
total_energies(*args, **kwargs)
Overloaded function.
 
1. total_energies(rosetta.core.scoring.Energies) -> rosetta.core.scoring.EMapVector
 
Returns the total_energies EnergyMap after first computing the
 component energies if they are not up-to-date
 
2. total_energies(rosetta.core.scoring.Energies) -> rosetta.core.scoring.EMapVector
 
Returns a non-const reference to the total_energies EnergyMap
 so that external sources may append additional information to the Energies
 object.  This is primarily useful for outputting score data with structures
 when those terms are not part of the energy function.
 This function will update the component energies if they are not up-to-date.
total_energy(...) from builtins.PyCapsule
total_energy(*args, **kwargs)
Overloaded function.
 
1. total_energy(rosetta.core.scoring.Energies) -> float
 
Returns the total score
 
 example(s):
     pose.energies().total_energy()
 See also:
     Energies
     Energies.residue_total_energy
     Energies.residue_total_energies
     Pose
     ScoreFunction
     ScoreFunction.show
     create_score_function
 
2. total_energy(rosetta.core.scoring.Energies) -> float
twelveA_neighbor_graph(...) from builtins.PyCapsule
twelveA_neighbor_graph(*args, **kwargs)
Overloaded function.
 
1. twelveA_neighbor_graph(rosetta.core.scoring.Energies) -> core::scoring::TwelveANeighborGraph
 
get the graph encoding # neighbors within 12 Angstroms
 
2. twelveA_neighbor_graph(rosetta.core.scoring.Energies) -> core::scoring::TwelveANeighborGraph
update_residue_neighbors(...) from builtins.PyCapsule
update_residue_neighbors(self : rosetta.core.scoring.Energies, domain_map_in : ObjexxFCL::FArray1D<int>, pose : rosetta.core.pose.Pose) -> NoneType
 
update the residue neighbors
use_nblist(...) from builtins.PyCapsule
use_nblist(rosetta.core.scoring.Energies) -> bool
use_nblist_auto_update(...) from builtins.PyCapsule
use_nblist_auto_update(rosetta.core.scoring.Energies) -> bool
use_nblist_of_type(...) from builtins.PyCapsule
use_nblist_of_type(self : rosetta.core.scoring.Energies, type : rosetta.core.scoring.EnergiesCacheableDataType.Enum) -> bool
weights(...) from builtins.PyCapsule
weights(*args, **kwargs)
Overloaded function.
 
1. weights(rosetta.core.scoring.Energies) -> rosetta.core.scoring.EMapVector
 
Returns an EnergyMap of the ScoreFunction weights from the last
 scoring
 
 example(s):
     we = pose.energies().weights()
     we[fa_atr]
 See also:
     Energies
     Energies.residue_total_energies
     Energies.residue_total_energy
     Pose
     ScoreFunction
     ScoreFunction.show
     create_score_function
     EMapVector
 
2. weights(self : rosetta.core.scoring.Energies, new_weights : rosetta.core.scoring.EMapVector) -> NoneType
 
Setter for the weights in this Energies object.

 
class EnergyEdge(rosetta.core.graph.Edge)
    Class EnergyEdge holds scores for pair interactions for short-ranged energy
functions.  It also records whether or not it has been scored -- when an
edge is added to the graph, it sets "energies_computed_" as false, and the
ScoreFunction class marks edges as having their energies computed once it
computes them.
 
 
Method resolution order:
EnergyEdge
rosetta.core.graph.Edge
builtins.object

Methods defined here:
__getitem__(...) from builtins.PyCapsule
__getitem__(self : rosetta.core.scoring.EnergyEdge, st : rosetta.core.scoring.ScoreType) -> float
 
Read the value stored on this edge for a particular score type.
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, owner : core::scoring::EnergyGraph, n1 : int, n2 : int) -> NoneType
 
2. __init__(self : handle, owner : core::scoring::EnergyGraph, example_edge : rosetta.core.scoring.EnergyEdge) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_to_energy_map(...) from builtins.PyCapsule
add_to_energy_map(*args, **kwargs)
Overloaded function.
 
1. add_to_energy_map(self : rosetta.core.scoring.EnergyEdge, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Add the non-zero elements into the energy map
 
2. add_to_energy_map(self : rosetta.core.scoring.EnergyEdge, emap : rosetta.core.scoring.EMapVector, subset : rosetta.utility.vector1_core_scoring_ScoreType) -> NoneType
 
Add the non-zero elements into the energy map
copy_from(...) from builtins.PyCapsule
copy_from(self : rosetta.core.scoring.EnergyEdge, source : rosetta.core.graph.Edge) -> NoneType
 
Copy the data held on the example edge, source.
 The source edge must be castable to class EnergyEdge.
count_dynamic_memory(...) from builtins.PyCapsule
count_dynamic_memory(rosetta.core.scoring.EnergyEdge) -> int
count_static_memory(...) from builtins.PyCapsule
count_static_memory(rosetta.core.scoring.EnergyEdge) -> int
dot(...) from builtins.PyCapsule
dot(self : rosetta.core.scoring.EnergyEdge, weights : rosetta.core.scoring.EMapVector) -> float
 
Compute the weighted energy for the components stored on this edge
energies_not_yet_computed(...) from builtins.PyCapsule
energies_not_yet_computed(rosetta.core.scoring.EnergyEdge) -> bool
fill_energy_map(...) from builtins.PyCapsule
fill_energy_map(rosetta.core.scoring.EnergyEdge) -> rosetta.core.scoring.EMapVector
 
Load an energy map with the non-zero
mark_energies_computed(...) from builtins.PyCapsule
mark_energies_computed(rosetta.core.scoring.EnergyEdge) -> NoneType
mark_energies_uncomputed(...) from builtins.PyCapsule
mark_energies_uncomputed(rosetta.core.scoring.EnergyEdge) -> NoneType
square_distance(...) from builtins.PyCapsule
square_distance(*args, **kwargs)
Overloaded function.
 
1. square_distance(rosetta.core.scoring.EnergyEdge) -> float
 
2. square_distance(self : rosetta.core.scoring.EnergyEdge, dsqr : float) -> NoneType
store_active_energies(...) from builtins.PyCapsule
store_active_energies(*args, **kwargs)
Overloaded function.
 
1. store_active_energies(self : rosetta.core.scoring.EnergyEdge, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Store the energies held in the input emap on this edge; only
 those ScoreTypes which are active are stored.
 
2. store_active_energies(self : rosetta.core.scoring.EnergyEdge, emap : rosetta.core.scoring.EMapVector, subset : rosetta.utility.vector1_core_scoring_ScoreType) -> NoneType
 
Store the intersection of the energies held in the input emap on this edge:
 The intersection is between the set of active ScoreTypes and the ScoreTypes given
 in the input "subset" list.  subset need not be sorted.

Methods inherited from rosetta.core.graph.Edge:
get_first_node_ind(...) from builtins.PyCapsule
get_first_node_ind(rosetta.core.graph.Edge) -> int
 
returns the index of the lower node
get_other_ind(...) from builtins.PyCapsule
get_other_ind(self : rosetta.core.graph.Edge, node_index : int) -> int
 
returns the index of the one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
get_other_node(...) from builtins.PyCapsule
get_other_node(*args, **kwargs)
Overloaded function.
 
1. get_other_node(self : rosetta.core.graph.Edge, node_index : int) -> rosetta.core.graph.Node
 
returns a const pointer to one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
 
2. get_other_node(self : rosetta.core.graph.Edge, node_index : int) -> rosetta.core.graph.Node
 
returns a non-const pointer to one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
get_second_node_ind(...) from builtins.PyCapsule
get_second_node_ind(rosetta.core.graph.Edge) -> int
 
returns the index of the upper node
is_loop(...) from builtins.PyCapsule
is_loop(rosetta.core.graph.Edge) -> bool
 
Is this edge a loop? In Pseudographs, loop edges are incident twice on a single vertex.
same_edge(...) from builtins.PyCapsule
same_edge(self : rosetta.core.graph.Edge, node1 : int, node2 : int) -> bool
 
Is this the same edge as another edge (node1,node2)?  Note:
 this graph does not work for multi-graphs.  Edges must be unique.
set_pos_in_owners_list(...) from builtins.PyCapsule
set_pos_in_owners_list(self : rosetta.core.graph.Edge, edge_iterator : rosetta.core.graph.EdgeListIterator) -> NoneType
 
called only by class Graph, this function gives the Edge the data it needs
 to later delete itself from its owner's edge list in constant time.

 
class EnergyGraph(rosetta.core.graph.Graph)
    Class to hold the component energies between pairs of residues.
Each node represents a residue in its corresponding structure.
Each edge in the graph holds a two-body energy map representing the
unweighted components of the energy function for those terms with non-zero
weight.  The EnergyGraph may be accessed from the pose's Energies object,
but at a price of an extra score evaluation.  This second score evaluation
may be avoided if you use the ScoreFunction::score_components( pose ) method.
 
 
Method resolution order:
EnergyGraph
rosetta.core.graph.Graph
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, num_nodes : int) -> NoneType
 
2. __init__(handle) -> NoneType
 
3. __init__(handle, rosetta.core.scoring.EnergyGraph) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
active_2b_score_types(...) from builtins.PyCapsule
active_2b_score_types(rosetta.core.scoring.EnergyGraph) -> rosetta.utility.vector1_core_scoring_ScoreType
active_score_types(...) from builtins.PyCapsule
active_score_types(self : rosetta.core.scoring.EnergyGraph, active : rosetta.utility.vector1_core_scoring_ScoreType) -> bool
 
Set the active score types, and return true if the new score types
 are the same as the old score types and the graph state is still good.
 Returns false if the score types have changed, indicating that the graph
 has dropped all of its edges;
add_energy_edge(...) from builtins.PyCapsule
add_energy_edge(self : rosetta.core.scoring.EnergyGraph, index1 : int, index2 : int, dsq : float) -> NoneType
 
Add an energy edge to the graph and store the square distance
array_pool(...) from builtins.PyCapsule
array_pool(rosetta.core.scoring.EnergyGraph) -> rosetta.core.graph.ArrayPool_double_t
 
Give non-const access to the array pool -- this function should only
 be called by class EnergyEdge.  I wish C++ let me declare this function private
 and that EnergyEdge could be a "friend" of this function.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.EnergyGraph, rhs : rosetta.core.scoring.EnergyGraph) -> rosetta.core.scoring.EnergyGraph
deallocate_arraypoolelement(...) from builtins.PyCapsule
deallocate_arraypoolelement(self : rosetta.core.scoring.EnergyGraph, element : rosetta.core.graph.ArrayPoolElement_double_t) -> NoneType
 
As an edge is deleted from the graph, it must reliquish hold over its
 array-pool element so that the element may be reused by new edges.
delete_edge(...) from builtins.PyCapsule
delete_edge(self : rosetta.core.scoring.EnergyGraph, edge : rosetta.core.graph.Edge) -> NoneType
find_energy_edge(...) from builtins.PyCapsule
find_energy_edge(*args, **kwargs)
Overloaded function.
 
1. find_energy_edge(self : rosetta.core.scoring.EnergyGraph, n1 : int, n2 : int) -> rosetta.core.scoring.EnergyEdge
 
2. find_energy_edge(self : rosetta.core.scoring.EnergyGraph, n1 : int, n2 : int) -> rosetta.core.scoring.EnergyEdge
get_energy_node(...) from builtins.PyCapsule
get_energy_node(*args, **kwargs)
Overloaded function.
 
1. get_energy_node(self : rosetta.core.scoring.EnergyGraph, index : int) -> rosetta.core.scoring.EnergyNode
 
Add an energy edge to the graph and set the energies
 for the non-zero-weighted components of the input emap.
 void
 add_energy_edge( Size index1, Size index2, EnergyMap const & emap );
 
2. get_energy_node(self : rosetta.core.scoring.EnergyGraph, index : int) -> rosetta.core.scoring.EnergyNode
n_active_score_types(...) from builtins.PyCapsule
n_active_score_types(rosetta.core.scoring.EnergyGraph) -> int
score_type_2_active(...) from builtins.PyCapsule
score_type_2_active(rosetta.core.scoring.EnergyGraph) -> rosetta.utility.vector1_int

Methods inherited from rosetta.core.graph.Graph:
add_edge(...) from builtins.PyCapsule
add_edge(*args, **kwargs)
Overloaded function.
 
1. add_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
add an edge between two vertices.  Invokes "create_edge" from the derived class.
 Returns a pointer to the edge after its been added, allowing the calling function
 to immediately set data for this edge.
 
2. add_edge(self : rosetta.core.graph.Graph, example_edge : rosetta.core.graph.Edge) -> rosetta.core.graph.Edge
 
add an edge to this graph copying the data from an edge in another graph.
 Returns a pointer to the edge after its been added, allowing the calling function
 to immediately set data for this edge.
all_pairs_shortest_paths(...) from builtins.PyCapsule
all_pairs_shortest_paths(rosetta.core.graph.Graph) -> ObjexxFCL::FArray2D<int>
 
O(V^3).  Computes all pairs shortest paths using Warshall's algorithm
 and writes all the path distances to the two-dimensional table.
const_edge_list_begin(...) from builtins.PyCapsule
const_edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
const_edge_list_end(...) from builtins.PyCapsule
const_edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
copy_connectivity(...) from builtins.PyCapsule
copy_connectivity(self : rosetta.core.graph.Graph, source : rosetta.core.graph.Graph) -> NoneType
 
copy the edge connectivity from a source graph with a potentially
 unknown type.
drop_all_edges(...) from builtins.PyCapsule
drop_all_edges(rosetta.core.graph.Graph) -> NoneType
 
delete all the edges present in the graph
drop_all_edges_for_node(...) from builtins.PyCapsule
drop_all_edges_for_node(self : rosetta.core.graph.Graph, node : int) -> NoneType
 
delete all the edges for a single vertex in the graph
edge_list_begin(...) from builtins.PyCapsule
edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
edge_list_end(...) from builtins.PyCapsule
edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
find_edge(...) from builtins.PyCapsule
find_edge(*args, **kwargs)
Overloaded function.
 
1. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
returns a pointer to the edge connecting nodes node1 and node2, if that edge exists
 in the graph, o.w. returns 0.  Focuses the graph on this edge for fast subsequent retrieval.
 
2. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
returns a const pointer to the edge connecting nodes node1 and node2, if that edge exists
 in the graph, o.w. returns 0.  Focuses the graph on this edge for fast subsequent retrieval.
focused_edge(...) from builtins.PyCapsule
focused_edge(*args, **kwargs)
Overloaded function.
 
1. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
 
returns a pointer to the focused edge
 
2. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
 
returns a const-pointer to the focused edge
getTotalMemoryUsage(...) from builtins.PyCapsule
getTotalMemoryUsage(rosetta.core.graph.Graph) -> int
 
returns a count of all the memory used by every vertex and edge in a graph
 by invoking the polymorphic count_static_memory and count_dynamic_memory of each
 (possibly derived) node and edge object as well as for the (possibly derived) graph
 class.
get_edge_exists(...) from builtins.PyCapsule
get_edge_exists(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> bool
 
is an edge already present in the graph? O(V) worst case.  O(1) iff all vertices have O(1) edges
get_node(...) from builtins.PyCapsule
get_node(*args, **kwargs)
Overloaded function.
 
1. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
 
2. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
 
self pointers
 
2. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
num_edges(...) from builtins.PyCapsule
num_edges(rosetta.core.graph.Graph) -> int
num_nodes(...) from builtins.PyCapsule
num_nodes(rosetta.core.graph.Graph) -> int
 
the number of nodes in the graph
print_vertices(...) from builtins.PyCapsule
print_vertices(rosetta.core.graph.Graph) -> NoneType
 
send summary information to the screen for all vertices in the graph
set_num_nodes(...) from builtins.PyCapsule
set_num_nodes(self : rosetta.core.graph.Graph, num_nodes : int) -> NoneType
 
set the number of nodes in the graph -- deletes any existing edges in the graph

 
class EnergyNode(rosetta.core.graph.Node)
    Class EnergyNode holds the result of a domainmap update from the
Conformation object held by a pose; if the internal degrees of freedom
for a residue (corresponding to a node in this graph) have changed
(and are marked with color "0" in the domainmap), then the EnergyNode
object will hold that information for the ScoringFunction to retrieve
 
 
Method resolution order:
EnergyNode
rosetta.core.graph.Node
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle, owner : rosetta.core.graph.Graph, index : int) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
copy_from(...) from builtins.PyCapsule
copy_from(self : rosetta.core.scoring.EnergyNode, source : rosetta.core.graph.Node) -> NoneType
count_dynamic_memory(...) from builtins.PyCapsule
count_dynamic_memory(rosetta.core.scoring.EnergyNode) -> int
count_static_memory(...) from builtins.PyCapsule
count_static_memory(rosetta.core.scoring.EnergyNode) -> int
moved(...) from builtins.PyCapsule
moved(*args, **kwargs)
Overloaded function.
 
1. moved(rosetta.core.scoring.EnergyNode) -> bool
 
2. moved(self : rosetta.core.scoring.EnergyNode,  : bool) -> NoneType
print(...) from builtins.PyCapsule
print(rosetta.core.scoring.EnergyNode) -> NoneType

Methods inherited from rosetta.core.graph.Node:
add_edge(...) from builtins.PyCapsule
add_edge(self : rosetta.core.graph.Node, edge_ptr : core::graph::Edge,  : rosetta.core.graph.EdgeListIterator) -> NoneType
 
adds edge pointer to edge list; returns an iterator to the new
 list element
const_edge_list_begin(...) from builtins.PyCapsule
const_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its edge list
const_edge_list_end(...) from builtins.PyCapsule
const_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its edge list
const_lower_edge_list_begin(...) from builtins.PyCapsule
const_lower_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its lower-edge list
const_lower_edge_list_end(...) from builtins.PyCapsule
const_lower_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its lower-edge list
const_upper_edge_list_begin(...) from builtins.PyCapsule
const_upper_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its upper-edge list
const_upper_edge_list_end(...) from builtins.PyCapsule
const_upper_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its upper-edge list
drop_all_edges(...) from builtins.PyCapsule
drop_all_edges(rosetta.core.graph.Node) -> NoneType
 
deletes all edges incident upon this node
drop_edge(...) from builtins.PyCapsule
drop_edge(self : rosetta.core.graph.Node, edge_iterator : rosetta.core.graph.EdgeListIterator) -> NoneType
 
removes an edge iterator from the node's edge list.  Only called by Edge class.
edge_list_begin(...) from builtins.PyCapsule
edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its edge list
edge_list_end(...) from builtins.PyCapsule
edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its edge list
find_edge(...) from builtins.PyCapsule
find_edge(*args, **kwargs)
Overloaded function.
 
1. find_edge(self : rosetta.core.graph.Node, other_node_index : int) -> core::graph::Edge
 
a "slow" (linear) search for an edge.
 
2. find_edge(self : rosetta.core.graph.Node, other_node_index : int) -> core::graph::Edge
get_node_index(...) from builtins.PyCapsule
get_node_index(rosetta.core.graph.Node) -> int
 
the index for this node
get_num_edges_to_larger_indexed_nodes(...) from builtins.PyCapsule
get_num_edges_to_larger_indexed_nodes(rosetta.core.graph.Node) -> int
 
the number of upper neighbors -- which "self" neighborness is counted if a loop edge
 is present
get_num_edges_to_smaller_indexed_nodes(...) from builtins.PyCapsule
get_num_edges_to_smaller_indexed_nodes(rosetta.core.graph.Node) -> int
 
the number of lower neighbors
loop_incident(...) from builtins.PyCapsule
loop_incident(rosetta.core.graph.Node) -> bool
 
NOTE TO SELF: remove loop support
lower_edge_list_begin(...) from builtins.PyCapsule
lower_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its lower-edge list
lower_edge_list_end(...) from builtins.PyCapsule
lower_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its lower-edge list
num_edges(...) from builtins.PyCapsule
num_edges(rosetta.core.graph.Node) -> int
 
the number of edges incident on this node, which may include a loop edge
num_neighbors_counting_self(...) from builtins.PyCapsule
num_neighbors_counting_self(rosetta.core.graph.Node) -> int
 
the number of neighbors counting "self" as a neighbor.
num_neighbors_counting_self_static(...) from builtins.PyCapsule
num_neighbors_counting_self_static(rosetta.core.graph.Node) -> int
 
the number of neighbors counting "self" as neighbor. Defaults to
 num_neighbors_counting_self() but can be set to other values as well.
 Useful in calculation of symmetrical structures.
set_num_neighbors_counting_self_static(...) from builtins.PyCapsule
set_num_neighbors_counting_self_static(self : rosetta.core.graph.Node, neighbor : int) -> NoneType
 
manually change the number of neighbors for a Node. Used
 for symmetry scoring
upper_edge_list_begin(...) from builtins.PyCapsule
upper_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its upper-edge list
upper_edge_list_end(...) from builtins.PyCapsule
upper_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its upper-edge list

 
class EnvPairPotential(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.EnvPairPotential) -> NoneType
 
2. __init__(self : rosetta.core.scoring.EnvPairPotential,  : rosetta.core.scoring.EnvPairPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
cenlist_from_pose(...) from builtins.PyCapsule
cenlist_from_pose( : rosetta.core.pose.Pose) -> rosetta.core.scoring.CenListInfo
compute_centroid_environment(...) from builtins.PyCapsule
compute_centroid_environment(self : rosetta.core.scoring.EnvPairPotential, pose : rosetta.core.pose.Pose) -> NoneType
evaluate_env_and_cbeta_scores(...) from builtins.PyCapsule
evaluate_env_and_cbeta_scores(self : rosetta.core.scoring.EnvPairPotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, env_score : float, cb_score6 : float, cb_score12 : float) -> NoneType
evaluate_pair_and_cenpack_score(...) from builtins.PyCapsule
evaluate_pair_and_cenpack_score(self : rosetta.core.scoring.EnvPairPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, cendist : float, pair_contribution : float, cenpack_contribution : float) -> NoneType
finalize(...) from builtins.PyCapsule
finalize(self : rosetta.core.scoring.EnvPairPotential, pose : rosetta.core.pose.Pose) -> NoneType
nonconst_cenlist_from_pose(...) from builtins.PyCapsule
nonconst_cenlist_from_pose( : rosetta.core.pose.Pose) -> rosetta.core.scoring.CenListInfo

 
class ExcludedResPredicate(Predicate)
    
Method resolution order:
ExcludedResPredicate
Predicate
builtins.object

Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.core.scoring.ExcludedResPredicate, pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
__init__(...) from builtins.PyCapsule
__init__(self : handle, excluded : rosetta.utility.vector1_unsigned_long, predicate : rosetta.core.scoring.Predicate) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.

Methods inherited from Predicate:
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.Predicate,  : rosetta.core.scoring.Predicate) -> rosetta.core.scoring.Predicate

 
class FACTSPoseInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
FACTSPoseInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.FACTSPoseInfo) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.FACTSPoseInfo,  : rosetta.core.scoring.FACTSPoseInfo) -> rosetta.core.scoring.FACTSPoseInfo
being_packed(...) from builtins.PyCapsule
being_packed(self : rosetta.core.scoring.FACTSPoseInfo, seqpos : int) -> bool
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.FACTSPoseInfo) -> rosetta.basic.datacache.CacheableData
context_derivative_empty(...) from builtins.PyCapsule
context_derivative_empty(rosetta.core.scoring.FACTSPoseInfo) -> bool
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.FACTSPoseInfo, pose : rosetta.core.pose.Pose, rsdtypemap : rosetta.std.map_const_core_chemical_ResidueType_*_std_shared_ptr_const_core_scoring_FACTSRsdTypeInfo_t) -> NoneType
is_changed(...) from builtins.PyCapsule
is_changed(self : rosetta.core.scoring.FACTSPoseInfo, pose : rosetta.core.pose.Pose) -> bool
placeholder_info(...) from builtins.PyCapsule
placeholder_info(self : rosetta.core.scoring.FACTSPoseInfo, seqpos : int) -> rosetta.core.scoring.FACTSResidueInfo
placeholder_residue(...) from builtins.PyCapsule
placeholder_residue(self : rosetta.core.scoring.FACTSPoseInfo, seqpos : int) -> rosetta.core.conformation.Residue
residue_info(...) from builtins.PyCapsule
residue_info(*args, **kwargs)
Overloaded function.
 
1. residue_info(self : rosetta.core.scoring.FACTSPoseInfo, i : int) -> rosetta.core.scoring.FACTSResidueInfo
 
2. residue_info(self : rosetta.core.scoring.FACTSPoseInfo, i : int) -> rosetta.core.scoring.FACTSResidueInfo
set_placeholder(...) from builtins.PyCapsule
set_placeholder(self : rosetta.core.scoring.FACTSPoseInfo, i : int, rsd : rosetta.core.conformation.Residue, info : rosetta.core.scoring.FACTSResidueInfo) -> NoneType
set_repack_list(...) from builtins.PyCapsule
set_repack_list(self : rosetta.core.scoring.FACTSPoseInfo, repacking_residues : rosetta.utility.vector1_bool) -> NoneType
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.FACTSPoseInfo) -> int
update_enumeration_shell(...) from builtins.PyCapsule
update_enumeration_shell(*args, **kwargs)
Overloaded function.
 
1. update_enumeration_shell(self : rosetta.core.scoring.FACTSPoseInfo, pose : rosetta.core.pose.Pose) -> NoneType
 
2. update_enumeration_shell(self : rosetta.core.scoring.FACTSPoseInfo, pose : rosetta.core.pose.Pose, enumerate_second_shell : bool) -> NoneType

Data descriptors defined here:
being_packed_
context_derivative_empty_
placeholder_info_
placeholder_residue_
residue_info_

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class FACTSPotential(builtins.object)
    ***********************************************************************************************
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.FACTSPotential) -> NoneType
 
2. __init__(self : rosetta.core.scoring.FACTSPotential,  : rosetta.core.scoring.FACTSPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.FACTSPotential,  : rosetta.core.scoring.FACTSPotential) -> rosetta.core.scoring.FACTSPotential
eval_atom_nonpolar_derivative(...) from builtins.PyCapsule
eval_atom_nonpolar_derivative(self : rosetta.core.scoring.FACTSPotential, id : rosetta.core.id.AtomID, weight : float, pose : rosetta.core.pose.Pose,  : ObjexxFCL::FArray1D<int>,  : bool, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
eval_atom_polar_derivative(...) from builtins.PyCapsule
eval_atom_polar_derivative(self : rosetta.core.scoring.FACTSPotential, id : rosetta.core.id.AtomID, weight_elec : float, weight_solv : float, pose : rosetta.core.pose.Pose,  : ObjexxFCL::FArray1D<int>,  : bool, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
evaluate_nonpolar_energy(...) from builtins.PyCapsule
evaluate_nonpolar_energy(self : rosetta.core.scoring.FACTSPotential, rsd1 : rosetta.core.conformation.Residue, facts1 : rosetta.core.scoring.FACTSResidueInfo, rsd2 : rosetta.core.conformation.Residue) -> float
evaluate_polar_energy(...) from builtins.PyCapsule
evaluate_polar_energy(self : rosetta.core.scoring.FACTSPotential, rsd1 : rosetta.core.conformation.Residue, facts1 : rosetta.core.scoring.FACTSResidueInfo, rsd2 : rosetta.core.conformation.Residue, E_elec : float, E_solv_self : float, E_solv_pair : float) -> NoneType
evaluate_polar_otf_energy(...) from builtins.PyCapsule
evaluate_polar_otf_energy(self : rosetta.core.scoring.FACTSPotential, rsd1 : rosetta.core.conformation.Residue, facts1 : rosetta.core.scoring.FACTSResidueInfo, rsd2 : rosetta.core.conformation.Residue, facts2 : rosetta.core.scoring.FACTSResidueInfo, E_elec : float, E_solv_self : float, E_solv_pair : float) -> NoneType
get_rotamers_born_radii(...) from builtins.PyCapsule
get_rotamers_born_radii(self : rosetta.core.scoring.FACTSPotential, pose : rosetta.core.pose.Pose, rotamer_set : rosetta.core.conformation.RotamerSetBase) -> NoneType
get_single_rotamer_born_radii(...) from builtins.PyCapsule
get_single_rotamer_born_radii(self : rosetta.core.scoring.FACTSPotential, rsd1 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, facts_info : rosetta.core.scoring.FACTSPoseInfo, facts1 : rosetta.core.scoring.FACTSResidueInfo) -> NoneType
set_default(...) from builtins.PyCapsule
set_default(rosetta.core.scoring.FACTSPotential) -> NoneType
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.FACTSPotential, pose : rosetta.core.pose.Pose) -> NoneType
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.FACTSPotential, pose : rosetta.core.pose.Pose, repacking_residues : rosetta.utility.vector1_bool) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.FACTSPotential, pose : rosetta.core.pose.Pose, packing : bool) -> NoneType
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.FACTSPotential, pose : rosetta.core.pose.Pose, seqpos : int) -> NoneType

 
class FACTSResidueInfo(builtins.object)
    ***********************************************************************************************
 
  Methods defined here:
Ai(...) from builtins.PyCapsule
Ai(*args, **kwargs)
Overloaded function.
 
1. Ai(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
 
2. Ai(rosetta.core.scoring.FACTSResidueInfo) -> rosetta.utility.vector1_double
BR(...) from builtins.PyCapsule
BR(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
Bi(...) from builtins.PyCapsule
Bi(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
Ci(...) from builtins.PyCapsule
Ci(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
Di(...) from builtins.PyCapsule
Di(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
E_elec(...) from builtins.PyCapsule
E_elec(self : rosetta.core.scoring.FACTSResidueInfo, res : int) -> float
E_solv(...) from builtins.PyCapsule
E_solv(self : rosetta.core.scoring.FACTSResidueInfo, res : int) -> float
E_solv_pair(...) from builtins.PyCapsule
E_solv_pair(self : rosetta.core.scoring.FACTSResidueInfo, res : int) -> float
E_solv_self(...) from builtins.PyCapsule
E_solv_self(self : rosetta.core.scoring.FACTSResidueInfo, res : int) -> float
Ei(...) from builtins.PyCapsule
Ei(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.FACTSResidueInfo) -> NoneType
 
2. __init__(rosetta.core.scoring.FACTSResidueInfo, rosetta.core.conformation.Residue, rosetta.core.scoring.FACTSRsdTypeInfo) -> NoneType
 
doc
 
3. __init__(self : rosetta.core.scoring.FACTSResidueInfo, rsd : rosetta.core.conformation.Residue, restypeinfo : rosetta.core.scoring.FACTSRsdTypeInfo, is_rotamer : bool) -> NoneType
 
4. __init__(self : rosetta.core.scoring.FACTSResidueInfo,  : rosetta.core.scoring.FACTSResidueInfo) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.FACTSResidueInfo,  : rosetta.core.scoring.FACTSResidueInfo) -> rosetta.core.scoring.FACTSResidueInfo
changed(...) from builtins.PyCapsule
changed(rosetta.core.scoring.FACTSResidueInfo) -> bool
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.FACTSResidueInfo) -> rosetta.core.scoring.FACTSResidueInfo
dBR_dG(...) from builtins.PyCapsule
dBR_dG(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
dB_dBdnmtr(...) from builtins.PyCapsule
dB_dBdnmtr(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
dB_dBnmtr(...) from builtins.PyCapsule
dB_dBnmtr(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
dG_dCi(...) from builtins.PyCapsule
dG_dCi(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
dSA_dDi(...) from builtins.PyCapsule
dSA_dDi(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
dnmtr(...) from builtins.PyCapsule
dnmtr(*args, **kwargs)
Overloaded function.
 
1. dnmtr(rosetta.core.scoring.FACTSResidueInfo) -> rosetta.utility.vector1_double
 
2. dnmtr(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
dsolv_dBR(...) from builtins.PyCapsule
dsolv_dBR(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
elecF2(...) from builtins.PyCapsule
elecF2(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
enumeration_shell(...) from builtins.PyCapsule
enumeration_shell(rosetta.core.scoring.FACTSResidueInfo) -> bool
esolvE(...) from builtins.PyCapsule
esolvE(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
flag_for_calculation(...) from builtins.PyCapsule
flag_for_calculation(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> bool
initialize(...) from builtins.PyCapsule
initialize(*args, **kwargs)
Overloaded function.
 
1. initialize(self : rosetta.core.scoring.FACTSResidueInfo, rsd : rosetta.core.conformation.Residue, restypeinfo : rosetta.core.scoring.FACTSRsdTypeInfo) -> NoneType
 
2. initialize(self : rosetta.core.scoring.FACTSResidueInfo, rsd : rosetta.core.conformation.Residue, restypeinfo : rosetta.core.scoring.FACTSRsdTypeInfo, is_rotamer : bool) -> NoneType
natoms(...) from builtins.PyCapsule
natoms(rosetta.core.scoring.FACTSResidueInfo) -> int
nmtr(...) from builtins.PyCapsule
nmtr(*args, **kwargs)
Overloaded function.
 
1. nmtr(rosetta.core.scoring.FACTSResidueInfo) -> rosetta.utility.vector1_numeric_xyzVector_double_t
 
2. nmtr(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
refresh_energy_cache(...) from builtins.PyCapsule
refresh_energy_cache(self : rosetta.core.scoring.FACTSResidueInfo, nres : int) -> NoneType
restypeinfo(...) from builtins.PyCapsule
restypeinfo(rosetta.core.scoring.FACTSResidueInfo) -> rosetta.core.scoring.FACTSRsdTypeInfo
sasa(...) from builtins.PyCapsule
sasa(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> float
sasaF2(...) from builtins.PyCapsule
sasaF2(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
set_changed(...) from builtins.PyCapsule
set_changed(self : rosetta.core.scoring.FACTSResidueInfo, value : bool) -> NoneType
set_enumeration_shell(...) from builtins.PyCapsule
set_enumeration_shell(self : rosetta.core.scoring.FACTSResidueInfo, value : bool) -> NoneType
solvF2BR(...) from builtins.PyCapsule
solvF2BR(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
solvF2d(...) from builtins.PyCapsule
solvF2d(self : rosetta.core.scoring.FACTSResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
store_xyz(...) from builtins.PyCapsule
store_xyz(self : rosetta.core.scoring.FACTSResidueInfo, rsd : rosetta.core.conformation.Residue) -> NoneType
xyz(...) from builtins.PyCapsule
xyz(rosetta.core.scoring.FACTSResidueInfo) -> rosetta.utility.vector1_numeric_xyzVector_double_t

Data descriptors defined here:
Ai_
BR_
Bi_
Ci_
Di_
E_elec_
E_solv_
E_solv_pair_
E_solv_self_
Ei_
changed_
dBR_dG_
dB_dBdnmtr_
dB_dBnmtr_
dG_dCi_
dSA_dDi_
dnmtr_
dsolv_dBR_
elecF2_
enumeration_shell_
esolvE_
flag_for_calculation_
natoms_
nmtr_
sasaF2_
sasa_
solvF2BR_
solvF2d_
xyz_

 
class FACTSRotamerSetInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
FACTSRotamerSetInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle, rosetta.core.scoring.FACTSRotamerSetInfo) -> NoneType
 
2. __init__(self : handle, rotamer_set : rosetta.core.conformation.RotamerSetBase, rsdtypemap : rosetta.std.map_const_core_chemical_ResidueType_*_std_shared_ptr_const_core_scoring_FACTSRsdTypeInfo_t) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.FACTSRotamerSetInfo,  : rosetta.core.scoring.FACTSRotamerSetInfo) -> rosetta.core.scoring.FACTSRotamerSetInfo
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.FACTSRotamerSetInfo) -> rosetta.basic.datacache.CacheableData
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.FACTSRotamerSetInfo, rotamer_set : rosetta.core.conformation.RotamerSetBase, rsdtypemap : rosetta.std.map_const_core_chemical_ResidueType_*_std_shared_ptr_const_core_scoring_FACTSRsdTypeInfo_t) -> NoneType
 
dont forget to 0 the born_radii
residue_info(...) from builtins.PyCapsule
residue_info(*args, **kwargs)
Overloaded function.
 
1. residue_info(self : rosetta.core.scoring.FACTSRotamerSetInfo, i : int) -> rosetta.core.scoring.FACTSResidueInfo
 
2. residue_info(self : rosetta.core.scoring.FACTSRotamerSetInfo, i : int) -> rosetta.core.scoring.FACTSResidueInfo
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.FACTSRotamerSetInfo) -> int

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class FACTSRsdTypeInfo(builtins.object)
    ***********************************************************************************************
 
  Methods defined here:
COradius2(...) from builtins.PyCapsule
COradius2(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.FACTSRsdTypeInfo) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
a0(...) from builtins.PyCapsule
a0(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
a1(...) from builtins.PyCapsule
a1(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
a2(...) from builtins.PyCapsule
a2(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
a3(...) from builtins.PyCapsule
a3(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
alpha(...) from builtins.PyCapsule
alpha(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.FACTSRsdTypeInfo,  : rosetta.core.scoring.FACTSRsdTypeInfo) -> rosetta.core.scoring.FACTSRsdTypeInfo
b1(...) from builtins.PyCapsule
b1(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
b2(...) from builtins.PyCapsule
b2(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
c0(...) from builtins.PyCapsule
c0(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
c1(...) from builtins.PyCapsule
c1(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
c2(...) from builtins.PyCapsule
c2(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
c3(...) from builtins.PyCapsule
c3(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
charged(...) from builtins.PyCapsule
charged(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> bool
create_info(...) from builtins.PyCapsule
create_info(self : rosetta.core.scoring.FACTSRsdTypeInfo, rsd : rosetta.core.chemical.ResidueType) -> NoneType
d1(...) from builtins.PyCapsule
d1(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
d2(...) from builtins.PyCapsule
d2(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
intra_elec_scale(...) from builtins.PyCapsule
intra_elec_scale(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm1 : int, atm2 : int) -> float
intra_solv_scale(...) from builtins.PyCapsule
intra_solv_scale(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm1 : int, atm2 : int) -> float
is_chargedH(...) from builtins.PyCapsule
is_chargedH(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm1 : int) -> bool
is_freedof(...) from builtins.PyCapsule
is_freedof(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm1 : int) -> bool
natoms(...) from builtins.PyCapsule
natoms(rosetta.core.scoring.FACTSRsdTypeInfo) -> int
not_using(...) from builtins.PyCapsule
not_using(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> bool
q(...) from builtins.PyCapsule
q(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float
volume(...) from builtins.PyCapsule
volume(self : rosetta.core.scoring.FACTSRsdTypeInfo, atm : int) -> float

 
class GenBornPoseInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
GenBornPoseInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.GenBornPoseInfo) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.GenBornPoseInfo,  : rosetta.core.scoring.GenBornPoseInfo) -> rosetta.core.scoring.GenBornPoseInfo
being_packed(...) from builtins.PyCapsule
being_packed(self : rosetta.core.scoring.GenBornPoseInfo, seqpos : int) -> bool
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.GenBornPoseInfo) -> rosetta.basic.datacache.CacheableData
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.GenBornPoseInfo, pose : rosetta.core.pose.Pose) -> NoneType
placeholder_info(...) from builtins.PyCapsule
placeholder_info(self : rosetta.core.scoring.GenBornPoseInfo, seqpos : int) -> rosetta.core.scoring.GenBornResidueInfo
placeholder_residue(...) from builtins.PyCapsule
placeholder_residue(self : rosetta.core.scoring.GenBornPoseInfo, seqpos : int) -> rosetta.core.conformation.Residue
residue_info(...) from builtins.PyCapsule
residue_info(*args, **kwargs)
Overloaded function.
 
1. residue_info(self : rosetta.core.scoring.GenBornPoseInfo, i : int) -> rosetta.core.scoring.GenBornResidueInfo
 
2. residue_info(self : rosetta.core.scoring.GenBornPoseInfo, i : int) -> rosetta.core.scoring.GenBornResidueInfo
set_placeholder(...) from builtins.PyCapsule
set_placeholder(self : rosetta.core.scoring.GenBornPoseInfo, i : int, rsd : rosetta.core.conformation.Residue, info : rosetta.core.scoring.GenBornResidueInfo) -> NoneType
set_repack_list(...) from builtins.PyCapsule
set_repack_list(self : rosetta.core.scoring.GenBornPoseInfo, repacking_residues : rosetta.utility.vector1_bool) -> NoneType
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.GenBornPoseInfo) -> int

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class GenBornPotential(builtins.object)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.GenBornPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
eval_atom_derivative(...) from builtins.PyCapsule
eval_atom_derivative(self : rosetta.core.scoring.GenBornPotential, id : rosetta.core.id.AtomID, weight : float, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>, exclude_DNA_DNA : bool, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
get_all_born_radii(...) from builtins.PyCapsule
get_all_born_radii(self : rosetta.core.scoring.GenBornPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
called prior to scoring, eg
get_res_res_elecE(...) from builtins.PyCapsule
get_res_res_elecE(self : rosetta.core.scoring.GenBornPotential, rsd1 : rosetta.core.conformation.Residue, gb1 : rosetta.core.scoring.GenBornResidueInfo, rsd2 : rosetta.core.conformation.Residue, gb2 : rosetta.core.scoring.GenBornResidueInfo) -> float
get_rotamers_born_radii(...) from builtins.PyCapsule
get_rotamers_born_radii(self : rosetta.core.scoring.GenBornPotential, pose : rosetta.core.pose.Pose, rotamer_set : rosetta.core.conformation.RotamerSetBase) -> NoneType
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.GenBornPotential, pose : rosetta.core.pose.Pose, repacking_residues : rosetta.utility.vector1_bool) -> NoneType
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.GenBornPotential, pose : rosetta.core.pose.Pose, seqpos : int) -> NoneType

 
class GenBornResidueInfo(builtins.object)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.core.scoring.GenBornResidueInfo, rsd : rosetta.core.conformation.Residue) -> NoneType
 
2. __init__(self : rosetta.core.scoring.GenBornResidueInfo,  : rosetta.core.scoring.GenBornResidueInfo) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.GenBornResidueInfo,  : rosetta.core.scoring.GenBornResidueInfo) -> rosetta.core.scoring.GenBornResidueInfo
atomic_radius(...) from builtins.PyCapsule
atomic_radius(*args, **kwargs)
Overloaded function.
 
1. atomic_radius(self : rosetta.core.scoring.GenBornResidueInfo, atm : int) -> float
 
2. atomic_radius(self : rosetta.core.scoring.GenBornResidueInfo, atm : int) -> float
born_radius(...) from builtins.PyCapsule
born_radius(*args, **kwargs)
Overloaded function.
 
1. born_radius(self : rosetta.core.scoring.GenBornResidueInfo, atm : int) -> float
 
2. born_radius(self : rosetta.core.scoring.GenBornResidueInfo, atm : int) -> float
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.GenBornResidueInfo) -> rosetta.core.scoring.GenBornResidueInfo
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.GenBornResidueInfo, rsd : rosetta.core.conformation.Residue) -> NoneType
scale_factor(...) from builtins.PyCapsule
scale_factor(*args, **kwargs)
Overloaded function.
 
1. scale_factor(self : rosetta.core.scoring.GenBornResidueInfo, atm : int) -> float
 
2. scale_factor(self : rosetta.core.scoring.GenBornResidueInfo, atm : int) -> float
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.GenBornResidueInfo) -> int

 
class GenBornRotamerSetInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
GenBornRotamerSetInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle, rosetta.core.scoring.GenBornRotamerSetInfo) -> NoneType
 
2. __init__(self : handle, rotamer_set : rosetta.core.conformation.RotamerSetBase) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.GenBornRotamerSetInfo,  : rosetta.core.scoring.GenBornRotamerSetInfo) -> rosetta.core.scoring.GenBornRotamerSetInfo
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.GenBornRotamerSetInfo) -> rosetta.basic.datacache.CacheableData
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.GenBornRotamerSetInfo, rotamer_set : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
dont forget to 0 the born_radii
residue_info(...) from builtins.PyCapsule
residue_info(*args, **kwargs)
Overloaded function.
 
1. residue_info(self : rosetta.core.scoring.GenBornRotamerSetInfo, i : int) -> rosetta.core.scoring.GenBornResidueInfo
 
2. residue_info(self : rosetta.core.scoring.GenBornRotamerSetInfo, i : int) -> rosetta.core.scoring.GenBornResidueInfo
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.GenBornRotamerSetInfo) -> int

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class Hairpin(builtins.object)
    ///////////////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.Hairpin) -> NoneType
 
2. __init__(self : rosetta.core.scoring.Hairpin, s1_1 : int, s1_2 : int, s2_1 : int, s2_2 : int) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.Hairpin) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.Hairpin, s : rosetta.core.scoring.Hairpin) -> rosetta.core.scoring.Hairpin
 
copy assignment
s1_end(...) from builtins.PyCapsule
s1_end(rosetta.core.scoring.Hairpin) -> int
s1_start(...) from builtins.PyCapsule
s1_start(rosetta.core.scoring.Hairpin) -> int
s2_end(...) from builtins.PyCapsule
s2_end(rosetta.core.scoring.Hairpin) -> int
s2_start(...) from builtins.PyCapsule
s2_start(rosetta.core.scoring.Hairpin) -> int

Data descriptors defined here:
range_pair_

 
class Hairpins(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.Hairpins) -> NoneType
 
2. __init__(self : rosetta.core.scoring.Hairpins, s : rosetta.core.scoring.Hairpins) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.Hairpins) -> str
append_hairpin(...) from builtins.PyCapsule
append_hairpin(self : rosetta.core.scoring.Hairpins, s1_1 : int, s1_2 : int, s2_1 : int, s2_2 : int) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.Hairpins, s : rosetta.core.scoring.Hairpins) -> rosetta.core.scoring.Hairpins
 
copy assignment
clear(...) from builtins.PyCapsule
clear(rosetta.core.scoring.Hairpins) -> NoneType
list(...) from builtins.PyCapsule
list(rosetta.core.scoring.Hairpins) -> rosetta.utility.vector1_core_scoring_Hairpin
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.Hairpins) -> int

Data descriptors defined here:
hairpin_list_

 
class Helices(builtins.object)
    ///////////////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.Helices) -> NoneType
 
2. __init__(self : rosetta.core.scoring.Helices, total_residue : int) -> NoneType
 
3. __init__(self : rosetta.core.scoring.Helices, h : rosetta.core.scoring.Helices) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.Helices) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.Helices, h : rosetta.core.scoring.Helices) -> rosetta.core.scoring.Helices
 
copy assignment
resize(...) from builtins.PyCapsule
resize(self : rosetta.core.scoring.Helices, nres : int) -> NoneType

Data descriptors defined here:
HH_helix_end
HH_resnum
total_HH_dimer
total_helices

 
class IsProteinCAPredicate(Predicate)
    
Method resolution order:
IsProteinCAPredicate
Predicate
builtins.object

Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.core.scoring.IsProteinCAPredicate, pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
__init__(...) from builtins.PyCapsule
__init__(handle) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.IsProteinCAPredicate,  : rosetta.core.scoring.IsProteinCAPredicate) -> rosetta.core.scoring.IsProteinCAPredicate

 
class LREnergyContainer(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.LREnergyContainer) -> NoneType
 
2. __init__(rosetta.core.scoring.LREnergyContainer, rosetta.core.scoring.LREnergyContainer) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
any_neighbors_for_residue(...) from builtins.PyCapsule
any_neighbors_for_residue(self : rosetta.core.scoring.LREnergyContainer, resid : int) -> bool
any_upper_neighbors_for_residue(...) from builtins.PyCapsule
any_upper_neighbors_for_residue(self : rosetta.core.scoring.LREnergyContainer, resid : int) -> bool
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.LREnergyContainer,  : rosetta.core.scoring.LREnergyContainer) -> rosetta.core.scoring.LREnergyContainer
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.LREnergyContainer) -> rosetta.core.scoring.LREnergyContainer
const_neighbor_iterator_begin(...) from builtins.PyCapsule
const_neighbor_iterator_begin(self : rosetta.core.scoring.LREnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
const_neighbor_iterator_end(...) from builtins.PyCapsule
const_neighbor_iterator_end(self : rosetta.core.scoring.LREnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
const_upper_neighbor_iterator_begin(...) from builtins.PyCapsule
const_upper_neighbor_iterator_begin(self : rosetta.core.scoring.LREnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
const_upper_neighbor_iterator_end(...) from builtins.PyCapsule
const_upper_neighbor_iterator_end(self : rosetta.core.scoring.LREnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
empty(...) from builtins.PyCapsule
empty(rosetta.core.scoring.LREnergyContainer) -> bool
neighbor_iterator_begin(...) from builtins.PyCapsule
neighbor_iterator_begin(self : rosetta.core.scoring.LREnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
neighbor_iterator_end(...) from builtins.PyCapsule
neighbor_iterator_end(self : rosetta.core.scoring.LREnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
set_num_nodes(...) from builtins.PyCapsule
set_num_nodes(self : rosetta.core.scoring.LREnergyContainer,  : int) -> NoneType
upper_neighbor_iterator_begin(...) from builtins.PyCapsule
upper_neighbor_iterator_begin(self : rosetta.core.scoring.LREnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
upper_neighbor_iterator_end(...) from builtins.PyCapsule
upper_neighbor_iterator_end(self : rosetta.core.scoring.LREnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator

 
class MembraneEmbed(rosetta.basic.datacache.CacheableData)
    Whole Pose Membrane Embedding
 
 
Define the embedding of the membrane pose based on computed
   normal and center parameters. These are initialzed in the membrane protein
   framework and then recomputed based upon the structured and stored in MP residues
   (see MP Framework code)
 
 
Method resolution order:
MembraneEmbed
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.MembraneEmbed) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.MembraneEmbed,  : rosetta.core.scoring.MembraneEmbed) -> rosetta.core.scoring.MembraneEmbed
calculated(...) from builtins.PyCapsule
calculated(*args, **kwargs)
Overloaded function.
 
1. calculated(rosetta.core.scoring.MembraneEmbed) -> bool
 
Return Calculated (no idea what this does)
 
2. calculated(rosetta.core.scoring.MembraneEmbed) -> bool
 
Return Non_Ref Calculated (no idea what this does - maybe observer)
center(...) from builtins.PyCapsule
center(rosetta.core.scoring.MembraneEmbed) -> rosetta.numeric.xyzVector_double_t
 
Get Center Parameter
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.MembraneEmbed) -> rosetta.basic.datacache.CacheableData
 
Clone Cacheable Data
depth(...) from builtins.PyCapsule
depth(*args, **kwargs)
Overloaded function.
 
1. depth(self : rosetta.core.scoring.MembraneEmbed, seqpos : int) -> float
 
Compute depth of residue in the membrane
 
2. depth(self : rosetta.core.scoring.MembraneEmbed, seqpos : int) -> float
 
Get NonConst Depth
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.MembraneEmbed, pose : rosetta.core.pose.Pose) -> NoneType
 
Initialize Membrane Embedding From Pose??
normal(...) from builtins.PyCapsule
normal(rosetta.core.scoring.MembraneEmbed) -> rosetta.numeric.xyzVector_double_t
 
Get Normal Parameter
penalty(...) from builtins.PyCapsule
penalty(rosetta.core.scoring.MembraneEmbed) -> float
 
Get MP Penalty
set_center(...) from builtins.PyCapsule
set_center(self : rosetta.core.scoring.MembraneEmbed, v : rosetta.numeric.xyzVector_double_t) -> NoneType
 
Set Pose Embedding Center (should not use this method, deprecated 3/11/14)
set_normal(...) from builtins.PyCapsule
set_normal(self : rosetta.core.scoring.MembraneEmbed, v : rosetta.numeric.xyzVector_double_t) -> NoneType
 
Set Pose Embedding Normal (should not use this method, deprecated 3/11/14)
set_penalty(...) from builtins.PyCapsule
set_penalty(self : rosetta.core.scoring.MembraneEmbed, p : float) -> NoneType
 
Set Penalty
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.MembraneEmbed) -> int
 
Compute Size of MP (]
spanning(...) from builtins.PyCapsule
spanning(*args, **kwargs)
Overloaded function.
 
1. spanning(rosetta.core.scoring.MembraneEmbed) -> bool
 
Return Ref Spanning Parameter
 
2. spanning(rosetta.core.scoring.MembraneEmbed) -> bool
 
Return Non_Ref Spanning Parameter

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class MembranePotential(EnvPairPotential)
    Rosetta Membrane Low Resolution Scoring Methods
 
 
Compute scoring terms part of the Membrane Low resolution energy function. Developed
   by Vladmir Yarov-Yaravoy et al. 2006. Includes Menv, MPair, MCBeta, and membrane
   alpha helical specific penalties. Framework tied.
 
 
Method resolution order:
MembranePotential
EnvPairPotential
builtins.object

Methods defined here:
Membed_init(...) from builtins.PyCapsule
Membed_init(rosetta.core.scoring.MembranePotential) -> bool
 
Initialize Membrane Embedding
Menv_penalties(...) from builtins.PyCapsule
Menv_penalties(rosetta.core.scoring.MembranePotential) -> bool
 
User Specified use penalties
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.MembranePotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
compute_membrane_embedding(...) from builtins.PyCapsule
compute_membrane_embedding(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose) -> NoneType
 
Compute Membrane Embedding from pose and add Membed to Pose Cache
evaluate_cbeta(...) from builtins.PyCapsule
evaluate_cbeta(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, membrane_cb_score : float) -> NoneType
 
Evaluate CBeta Score (no idea...?)
evaluate_env(...) from builtins.PyCapsule
evaluate_env(*args, **kwargs)
Overloaded function.
 
1. evaluate_env(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, MembraneDepth : float, membrane_env_score : float) -> NoneType
 
Evalaute Membrane Environment
 
2. evaluate_env(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, membrane_env_score : float) -> NoneType
evaluate_pair(...) from builtins.PyCapsule
evaluate_pair(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, cendist : float, membrane_pair_score : float) -> NoneType
 
Evaluate Energy For Two Residues
finalize(...) from builtins.PyCapsule
finalize(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose) -> NoneType
 
Finalize Setup of MP Potential Class
init_membrane_center_normal(...) from builtins.PyCapsule
init_membrane_center_normal(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, normal : rosetta.numeric.xyzVector_double_t, center : rosetta.numeric.xyzVector_double_t) -> NoneType
 
Initialize Membrane Center/Normal
non_helix_in_membrane_penalty(...) from builtins.PyCapsule
non_helix_in_membrane_penalty(*args, **kwargs)
Overloaded function.
 
1. non_helix_in_membrane_penalty(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, non_helix_in_membrane_penalty : float) -> NoneType
 
Compute penaly for alpha helices that are not tm spanning
 
2. non_helix_in_membrane_penalty(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, normal : rosetta.numeric.xyzVector_double_t, center : rosetta.numeric.xyzVector_double_t, non_helix_in_membrane_penalty : float) -> NoneType
termini_penalty(...) from builtins.PyCapsule
termini_penalty(*args, **kwargs)
Overloaded function.
 
1. termini_penalty(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, termini_penalty : float) -> NoneType
 
Compute penalty for ???
 
2. termini_penalty(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, normal : rosetta.numeric.xyzVector_double_t, center : rosetta.numeric.xyzVector_double_t, termin_penalty : float) -> NoneType
tm_projection_penalty(...) from builtins.PyCapsule
tm_projection_penalty(*args, **kwargs)
Overloaded function.
 
1. tm_projection_penalty(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, tm_proj : float) -> NoneType
 
Compute Transmembrane Spanning Projection Penalty (documentation for what this is - se MP potential from refactor)
 
2. tm_projection_penalty(self : rosetta.core.scoring.MembranePotential, pose : rosetta.core.pose.Pose, normal : rosetta.numeric.xyzVector_double_t, center : rosetta.numeric.xyzVector_double_t, tm_proj : float) -> NoneType

Methods inherited from EnvPairPotential:
cenlist_from_pose(...) from builtins.PyCapsule
cenlist_from_pose( : rosetta.core.pose.Pose) -> rosetta.core.scoring.CenListInfo
compute_centroid_environment(...) from builtins.PyCapsule
compute_centroid_environment(self : rosetta.core.scoring.EnvPairPotential, pose : rosetta.core.pose.Pose) -> NoneType
evaluate_env_and_cbeta_scores(...) from builtins.PyCapsule
evaluate_env_and_cbeta_scores(self : rosetta.core.scoring.EnvPairPotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, env_score : float, cb_score6 : float, cb_score12 : float) -> NoneType
evaluate_pair_and_cenpack_score(...) from builtins.PyCapsule
evaluate_pair_and_cenpack_score(self : rosetta.core.scoring.EnvPairPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, cendist : float, pair_contribution : float, cenpack_contribution : float) -> NoneType
nonconst_cenlist_from_pose(...) from builtins.PyCapsule
nonconst_cenlist_from_pose( : rosetta.core.pose.Pose) -> rosetta.core.scoring.CenListInfo

 
class MembraneTopology(rosetta.basic.datacache.CacheableData)
    
Method resolution order:
MembraneTopology
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
LipidBurial(...) from builtins.PyCapsule
LipidBurial(self : rosetta.core.scoring.MembraneTopology, n : int) -> float
LipidExposure(...) from builtins.PyCapsule
LipidExposure(self : rosetta.core.scoring.MembraneTopology, n : int) -> float
LipoDefined(...) from builtins.PyCapsule
LipoDefined(rosetta.core.scoring.MembraneTopology) -> bool
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.MembraneTopology) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
allow_scoring(...) from builtins.PyCapsule
allow_scoring(self : rosetta.core.scoring.MembraneTopology, seqpos : int) -> bool
allow_tmh_scoring(...) from builtins.PyCapsule
allow_tmh_scoring(self : rosetta.core.scoring.MembraneTopology, tmh : int) -> bool
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.MembraneTopology,  : rosetta.core.scoring.MembraneTopology) -> rosetta.core.scoring.MembraneTopology
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.MembraneTopology) -> rosetta.basic.datacache.CacheableData
depth(...) from builtins.PyCapsule
depth(*args, **kwargs)
Overloaded function.
 
1. depth(self : rosetta.core.scoring.MembraneTopology, seqpos : int) -> float
 
2. depth(rosetta.core.scoring.MembraneTopology) -> rosetta.utility.vector1_double
get_subset(...) from builtins.PyCapsule
get_subset(self : rosetta.core.scoring.MembraneTopology, TMH_list : rosetta.utility.vector1_unsigned_long, src : rosetta.core.scoring.MembraneTopology) -> NoneType
helix_id(...) from builtins.PyCapsule
helix_id(self : rosetta.core.scoring.MembraneTopology, n : int) -> int
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.MembraneTopology, spanfile : str) -> NoneType
initialized(...) from builtins.PyCapsule
initialized(*args, **kwargs)
Overloaded function.
 
1. initialized(rosetta.core.scoring.MembraneTopology) -> bool
 
2. initialized(rosetta.core.scoring.MembraneTopology) -> bool
print(...) from builtins.PyCapsule
print(rosetta.core.scoring.MembraneTopology) -> NoneType
read_in_spanfile(...) from builtins.PyCapsule
read_in_spanfile(rosetta.core.scoring.MembraneTopology) -> str
reset_allowed_scoring(...) from builtins.PyCapsule
reset_allowed_scoring(rosetta.core.scoring.MembraneTopology) -> NoneType
reset_tmh_insert(...) from builtins.PyCapsule
reset_tmh_insert(rosetta.core.scoring.MembraneTopology) -> NoneType
set_allow_scoring(...) from builtins.PyCapsule
set_allow_scoring(self : rosetta.core.scoring.MembraneTopology, pos : int, setting : bool) -> NoneType
set_allow_tmh_scoring(...) from builtins.PyCapsule
set_allow_tmh_scoring(self : rosetta.core.scoring.MembraneTopology, tmh : int, setting : bool) -> NoneType
set_tmh_inserted(...) from builtins.PyCapsule
set_tmh_inserted(self : rosetta.core.scoring.MembraneTopology, tmh_inserted : int) -> NoneType
shift_span(...) from builtins.PyCapsule
shift_span(self : rosetta.core.scoring.MembraneTopology, shift : int) -> NoneType
span_begin(...) from builtins.PyCapsule
span_begin(self : rosetta.core.scoring.MembraneTopology, n : int) -> int
span_end(...) from builtins.PyCapsule
span_end(self : rosetta.core.scoring.MembraneTopology, n : int) -> int
tmh_inserted(...) from builtins.PyCapsule
tmh_inserted(rosetta.core.scoring.MembraneTopology) -> int
tmhelix(...) from builtins.PyCapsule
tmhelix(rosetta.core.scoring.MembraneTopology) -> int
tmregion(...) from builtins.PyCapsule
tmregion(self : rosetta.core.scoring.MembraneTopology, pos : int) -> bool

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class Membrane_FAEmbed(rosetta.basic.datacache.CacheableData)
    Membrane Fullatom embedding info
 
 
Cacheable Data - Stores Full atom embedding information including
   projection from z axis, fa depth, center, penalty, membrane thicnkess
   steepness and normal
 
 
Method resolution order:
Membrane_FAEmbed
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
Fa_Membed_update(...) from builtins.PyCapsule
Fa_Membed_update(*args, **kwargs)
Overloaded function.
 
1. Fa_Membed_update(rosetta.core.scoring.Membrane_FAEmbed) -> bool
 
2. Fa_Membed_update(rosetta.core.scoring.Membrane_FAEmbed) -> bool
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.Membrane_FAEmbed) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.Membrane_FAEmbed,  : rosetta.core.scoring.Membrane_FAEmbed) -> rosetta.core.scoring.Membrane_FAEmbed
calculated(...) from builtins.PyCapsule
calculated(*args, **kwargs)
Overloaded function.
 
1. calculated(rosetta.core.scoring.Membrane_FAEmbed) -> bool
 
2. calculated(rosetta.core.scoring.Membrane_FAEmbed) -> bool
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.Membrane_FAEmbed) -> rosetta.basic.datacache.CacheableData
 
Cacheable Data base Mehtod - Clone Object
fa_center(...) from builtins.PyCapsule
fa_center(*args, **kwargs)
Overloaded function.
 
1. fa_center(rosetta.core.scoring.Membrane_FAEmbed) -> float
 
Compute Fullatom Center
 
2. fa_center(rosetta.core.scoring.Membrane_FAEmbed) -> float
fa_depth(...) from builtins.PyCapsule
fa_depth(*args, **kwargs)
Overloaded function.
 
1. fa_depth(self : rosetta.core.scoring.Membrane_FAEmbed, seqpos : int, atom : int) -> float
 
Compute Depth of Position in Membrane
 
2. fa_depth(self : rosetta.core.scoring.Membrane_FAEmbed, seqpos : int, atom : int) -> float
fa_penalty(...) from builtins.PyCapsule
fa_penalty(*args, **kwargs)
Overloaded function.
 
1. fa_penalty(rosetta.core.scoring.Membrane_FAEmbed) -> float
 
2. fa_penalty(rosetta.core.scoring.Membrane_FAEmbed) -> float
fa_proj(...) from builtins.PyCapsule
fa_proj(*args, **kwargs)
Overloaded function.
 
1. fa_proj(self : rosetta.core.scoring.Membrane_FAEmbed, seqpos : int, atom : int) -> float
 
Compute FA Proj to Z Axis
 
2. fa_proj(self : rosetta.core.scoring.Membrane_FAEmbed, seqpos : int, atom : int) -> float
fa_proj_coord(...) from builtins.PyCapsule
fa_proj_coord(*args, **kwargs)
Overloaded function.
 
1. fa_proj_coord(self : rosetta.core.scoring.Membrane_FAEmbed, seqpos : int, atom : int) -> rosetta.numeric.xyzVector_double_t
 
Get Coordinates (I think it is storing these)
 
2. fa_proj_coord(self : rosetta.core.scoring.Membrane_FAEmbed, seqpos : int, atom : int) -> rosetta.numeric.xyzVector_double_t
fa_proj_deriv(...) from builtins.PyCapsule
fa_proj_deriv(*args, **kwargs)
Overloaded function.
 
1. fa_proj_deriv(self : rosetta.core.scoring.Membrane_FAEmbed, seqpos : int, atom : int) -> float
 
Compute Derivative of Fa Proj.
 
2. fa_proj_deriv(self : rosetta.core.scoring.Membrane_FAEmbed, seqpos : int, atom : int) -> float
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.Membrane_FAEmbed, pose : rosetta.core.pose.Pose) -> NoneType
steepness(...) from builtins.PyCapsule
steepness(*args, **kwargs)
Overloaded function.
 
1. steepness(rosetta.core.scoring.Membrane_FAEmbed) -> float
 
2. steepness(rosetta.core.scoring.Membrane_FAEmbed) -> float
thickness(...) from builtins.PyCapsule
thickness(*args, **kwargs)
Overloaded function.
 
1. thickness(rosetta.core.scoring.Membrane_FAEmbed) -> float
 
2. thickness(rosetta.core.scoring.Membrane_FAEmbed) -> float

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class Membrane_FAPotential(EnvPairPotential)
    Mmebrane Fullatom Potential - Scoring Class
 
 
Helper methods for computing fullatom energy terms
   in the membrane scoring function
 
 
Method resolution order:
Membrane_FAPotential
EnvPairPotential
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.Membrane_FAPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
compute_fa_projection(...) from builtins.PyCapsule
compute_fa_projection(self : rosetta.core.scoring.Membrane_FAPotential, pose : rosetta.core.pose.Pose) -> NoneType
finalize(...) from builtins.PyCapsule
finalize(self : rosetta.core.scoring.Membrane_FAPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
Base Class Method - Finalize Scoring Setup

Methods inherited from EnvPairPotential:
cenlist_from_pose(...) from builtins.PyCapsule
cenlist_from_pose( : rosetta.core.pose.Pose) -> rosetta.core.scoring.CenListInfo
compute_centroid_environment(...) from builtins.PyCapsule
compute_centroid_environment(self : rosetta.core.scoring.EnvPairPotential, pose : rosetta.core.pose.Pose) -> NoneType
evaluate_env_and_cbeta_scores(...) from builtins.PyCapsule
evaluate_env_and_cbeta_scores(self : rosetta.core.scoring.EnvPairPotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, env_score : float, cb_score6 : float, cb_score12 : float) -> NoneType
evaluate_pair_and_cenpack_score(...) from builtins.PyCapsule
evaluate_pair_and_cenpack_score(self : rosetta.core.scoring.EnvPairPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, cendist : float, pair_contribution : float, cenpack_contribution : float) -> NoneType
nonconst_cenlist_from_pose(...) from builtins.PyCapsule
nonconst_cenlist_from_pose( : rosetta.core.pose.Pose) -> rosetta.core.scoring.CenListInfo

 
class MinScoreScoreFunction(ScoreFunction)
    
Method resolution order:
MinScoreScoreFunction
ScoreFunction
builtins.object

Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.core.scoring.MinScoreScoreFunction, pose : rosetta.core.pose.Pose) -> float
 
//////////////////////////////////////////////////////////////////////////
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(self : handle, src : rosetta.core.scoring.ScoreFunction,  : float) -> NoneType
 
3. __init__(self : handle,  : float) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(*args, **kwargs)
Overloaded function.
 
1. assign(self : rosetta.core.scoring.MinScoreScoreFunction, src : rosetta.core.scoring.ScoreFunction) -> NoneType
 
INTERNAL USE ONLY
 
2. assign(self : rosetta.core.scoring.MinScoreScoreFunction, src : rosetta.core.scoring.MinScoreScoreFunction) -> NoneType
 
INTERNAL USE ONLY
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.MinScoreScoreFunction) -> rosetta.core.scoring.ScoreFunction

Methods inherited from ScoreFunction:
__getitem__(...) from builtins.PyCapsule
__getitem__(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> float
 
Returns the weight of the ScoreType  <t>
 
 example(s):
     scorefxn[fa_sol]
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.ScoreFunction) -> str
add_extra_method(...) from builtins.PyCapsule
add_extra_method(*args, **kwargs)
Overloaded function.
 
1. add_extra_method(self : rosetta.core.scoring.ScoreFunction, new_type : rosetta.core.scoring.ScoreType, new_weight : float, new_method : core::scoring::methods::EnergyMethod) -> NoneType
 
Adds a scoring method that is not necessarily included in
 the core library
 
2. add_extra_method(self : rosetta.core.scoring.ScoreFunction, new_weights : rosetta.std.map_core_scoring_ScoreType_double, new_method : core::scoring::methods::EnergyMethod) -> NoneType
 
Adds a scoring method that is not necessarily included in
 the core library
add_weights_from_file(...) from builtins.PyCapsule
add_weights_from_file(self : rosetta.core.scoring.ScoreFunction, filename : str) -> NoneType
 
Initializes this ScoreFunction from the given  <filename>
all_energies_begin(...) from builtins.PyCapsule
all_energies_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::EnergyMethod const> const*, std::vector<std::shared_ptr<core::scoring::methods::EnergyMethod const>, std::allocator<std::shared_ptr<core::scoring::methods::EnergyMethod const> > > >
all_energies_end(...) from builtins.PyCapsule
all_energies_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::EnergyMethod const> const*, std::vector<std::shared_ptr<core::scoring::methods::EnergyMethod const>, std::allocator<std::shared_ptr<core::scoring::methods::EnergyMethod const> > > >
all_methods(...) from builtins.PyCapsule
all_methods(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_std_shared_ptr_const_core_scoring_methods_EnergyMethod_t
any_lr_residue_pair_energy(...) from builtins.PyCapsule
any_lr_residue_pair_energy(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, res1 : int, res2 : int) -> bool
apply_patch_from_file(...) from builtins.PyCapsule
apply_patch_from_file(self : rosetta.core.scoring.ScoreFunction, filename : str) -> NoneType
 
Applies a patch from the given  <filename>
are_they_neighbors(...) from builtins.PyCapsule
are_they_neighbors(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, pos1 : int, pos2 : int) -> bool
 
Returns true if the  <pose>  positions  <pos1>  and  <pos2>
 are neighbors
bump_check_backbone(...) from builtins.PyCapsule
bump_check_backbone(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Scores the sidechain from  <pose>  Residue  <rsd1>  against the
 backbone of Residue  <rsd2>
bump_check_full(...) from builtins.PyCapsule
bump_check_full(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
cd_1b_types(...) from builtins.PyCapsule
cd_1b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all cd 1b score types
cd_2b_begin(...) from builtins.PyCapsule
cd_2b_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> > > >
cd_2b_end(...) from builtins.PyCapsule
cd_2b_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> > > >
cd_2b_intrares_begin(...) from builtins.PyCapsule
cd_2b_intrares_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
cd_2b_intrares_end(...) from builtins.PyCapsule
cd_2b_intrares_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
cd_2b_types(...) from builtins.PyCapsule
cd_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all cd 2b score types
cd_lr_2b_methods_begin(...) from builtins.PyCapsule
cd_lr_2b_methods_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> > > >
cd_lr_2b_methods_end(...) from builtins.PyCapsule
cd_lr_2b_methods_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> > > >
cd_lr_2b_types(...) from builtins.PyCapsule
cd_lr_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
check_methods_in_right_order(...) from builtins.PyCapsule
check_methods_in_right_order(self : rosetta.core.scoring.ScoreFunction, score_type_in_first_method : rosetta.core.scoring.ScoreType, score_type_in_second_method : rosetta.core.scoring.ScoreType) -> bool
 
check order of methods
ci_1b_types(...) from builtins.PyCapsule
ci_1b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all ci 1b score types
ci_2b_begin(...) from builtins.PyCapsule
ci_2b_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> > > >
ci_2b_end(...) from builtins.PyCapsule
ci_2b_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> > > >
ci_2b_intrares_begin(...) from builtins.PyCapsule
ci_2b_intrares_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
ci_2b_intrares_end(...) from builtins.PyCapsule
ci_2b_intrares_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
ci_2b_types(...) from builtins.PyCapsule
ci_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all ci 2b score types
ci_lr_2b_methods_begin(...) from builtins.PyCapsule
ci_lr_2b_methods_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> > > >
ci_lr_2b_methods_end(...) from builtins.PyCapsule
ci_lr_2b_methods_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> > > >
ci_lr_2b_types(...) from builtins.PyCapsule
ci_lr_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
clone_as_base_class(...) from builtins.PyCapsule
clone_as_base_class(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.ScoreFunction
 
If you *want* to discard subclass information, the following function is availible
energy_method_options(...) from builtins.PyCapsule
energy_method_options(rosetta.core.scoring.ScoreFunction) -> core::scoring::methods::EnergyMethodOptions
 
Returns the EnergyMethodOptions object contained in this
 ScoreFunction (const access)
eval_cd_1b(...) from builtins.PyCapsule
eval_cd_1b(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted one body energies of all context
 dependent one body energies for  <pose>  Residue  <rsd>  into
 EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b(...) from builtins.PyCapsule
eval_cd_2b(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulate the unweighted short range context dependent two body
 interaction energies of  <pose>  between Residue  <rsd1>  and Residue
 <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b_bb_bb(...) from builtins.PyCapsule
eval_cd_2b_bb_bb(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short ranged context dependent two body
 interaction energies of  <pose>  between the backbones of Residue
 <rsd1>  and  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b_bb_sc(...) from builtins.PyCapsule
eval_cd_2b_bb_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short ranged context dependent two body
 interaction energies of  <pose>  between the backbone of Residue  <rsd1>
 and the sidechain of Residue  <rsd2>  into EnergyMap <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b_sc_sc(...) from builtins.PyCapsule
eval_cd_2b_sc_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short ranged context dependent two body
 interaction energies of  <pose>  between the sidechains of Residue
 <rsd1>  and Residue  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_intrares_energy(...) from builtins.PyCapsule
eval_cd_intrares_energy(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted intra-residue one body energies for all
 context dependent two body terms that define intra-residue energies of
 <pose>  Residue  <rsd>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_1b(...) from builtins.PyCapsule
eval_ci_1b(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
eval_ci_2b(...) from builtins.PyCapsule
eval_ci_2b(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted context independent two body
 interaction energies of  <pose>  between Residue  <rsd1>  and Residue
 <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_2b_bb_bb(...) from builtins.PyCapsule
eval_ci_2b_bb_bb(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted context independent two body
 interaction energies of  <pose>  between the backbones of Residue
 <rsd1>  and Residue  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_2b_bb_sc(...) from builtins.PyCapsule
eval_ci_2b_bb_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short range context independent two
 body interaction energies of  <pose>  between the backbone of Residue
 <rsd1>  and the sidechain of Residue  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_2b_sc_sc(...) from builtins.PyCapsule
eval_ci_2b_sc_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short range context dependent two body
 interaction energies of  <pose>  between the sidechains of Residue  <rsd1>
 and Residue  <rsd2>  into Energymap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_intrares_energy(...) from builtins.PyCapsule
eval_ci_intrares_energy(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted intra-residue one body energies for all
 context independent two body terms that define intra-residue energies of
 <pose>  Residue  <rsd>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_dof_derivative(...) from builtins.PyCapsule
eval_dof_derivative(self : rosetta.core.scoring.ScoreFunction, dof_id : rosetta.core.id.DOF_ID, torsion_id : core::id::TorsionID, pose : rosetta.core.pose.Pose) -> float
eval_intrares_energy(...) from builtins.PyCapsule
eval_intrares_energy(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates for rsd the unweighted intra-residue one body energies
 for all context dependent and context independent two body terms that
 define intra-residue energies
 
 
: EnergyMap is an EMapVector
eval_long_range_twobody_energies(...) from builtins.PyCapsule
eval_long_range_twobody_energies(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
eval_npd_atom_derivative(...) from builtins.PyCapsule
eval_npd_atom_derivative(self : rosetta.core.scoring.ScoreFunction, atom_id : rosetta.core.id.AtomID, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
eval_onebody_energies(...) from builtins.PyCapsule
eval_onebody_energies(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
eval_twobody_neighbor_energies(...) from builtins.PyCapsule
eval_twobody_neighbor_energies(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
evaluate_rotamer_background_energies(...) from builtins.PyCapsule
evaluate_rotamer_background_energies(self : rosetta.core.scoring.ScoreFunction, set1 : rosetta.core.conformation.RotamerSetBase, residue2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, energy_vector : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_intrares_energies(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energies(self : rosetta.core.scoring.ScoreFunction, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, energies : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_intrares_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energy_maps(self : rosetta.core.scoring.ScoreFunction, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
evaluate_rotamer_pair_energies(...) from builtins.PyCapsule
evaluate_rotamer_pair_energies(self : rosetta.core.scoring.ScoreFunction, set1 : rosetta.core.conformation.RotamerSetBase, set2 : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, energy_table : ObjexxFCL::FArray2D<float>) -> NoneType
finalize_after_derivatives(...) from builtins.PyCapsule
finalize_after_derivatives(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
get_name(...) from builtins.PyCapsule
get_name(rosetta.core.scoring.ScoreFunction) -> str
get_nonzero_weighted_scoretypes(...) from builtins.PyCapsule
get_nonzero_weighted_scoretypes(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Returns a list of the ScoreTypes which are non-zero with
 their current weights
 
 example(s):
     scorefxn.get_nonzero_weighted_scoretypes()
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.ScoreFunction
 
self pointers
 
2. get_self_ptr(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.ScoreFunction
get_sub_score(...) from builtins.PyCapsule
get_sub_score(*args, **kwargs)
Overloaded function.
 
1. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool) -> float
 
Compute the score for subset of residues
 
2. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
 
3. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool) -> float
 
Compute the score for subset of residues
 
4. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
get_sub_score_exclude_res(...) from builtins.PyCapsule
get_sub_score_exclude_res(*args, **kwargs)
Overloaded function.
 
1. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long) -> float
 
Compute the score for subset of residues
 
2. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
 
3. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long) -> float
 
Compute the score for subset of residues
 
4. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
get_weight(...) from builtins.PyCapsule
get_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> float
 
Returns the weight for ScoreType  <t>
 
 examples(s):
     scorefxn.get_weight(fa_sol)
 See also:
     ScoreFunction
     ScoreFunction.set_weight
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
has_nonzero_weight(...) from builtins.PyCapsule
has_nonzero_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> bool
 
Returns true if the ScoreType  <t>  has a non-zero weight
 
 example(s):
     scorefxn.has_nonzero_weight(fa_sol)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.has_zero_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
has_zero_weight(...) from builtins.PyCapsule
has_zero_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> bool
 
Returns true if the ScoreType  <t>  has a weight of zero,
 
 example(s):
     scorefxn.has_zero_weight(fa_sol)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.has_nonzero_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
indicate_required_context_graphs(...) from builtins.PyCapsule
indicate_required_context_graphs(self : rosetta.core.scoring.ScoreFunction, context_graphs_required : rosetta.utility.vector1_bool) -> NoneType
 
find which context graphs the energy methods require
info(...) from builtins.PyCapsule
info(rosetta.core.scoring.ScoreFunction) -> core::scoring::ScoreFunctionInfo
 
return an object to describe abstractly the methods contained in this
 ScoreFunction so that class Energies can ensure that the ScoreFunction is
 properly evaluated (ie, no obsolete cashed data is used )
initialize_from_file(...) from builtins.PyCapsule
initialize_from_file(self : rosetta.core.scoring.ScoreFunction, filename : str) -> NoneType
 
Resets everything before reading the  <filename>
long_range_energies_begin(...) from builtins.PyCapsule
long_range_energies_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> > > >
long_range_energies_end(...) from builtins.PyCapsule
long_range_energies_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> > > >
max_atomic_interaction_cutoff(...) from builtins.PyCapsule
max_atomic_interaction_cutoff(rosetta.core.scoring.ScoreFunction) -> float
 
Returns the largest atomic interaction cutoff required by the
 EnergyMethods
merge(...) from builtins.PyCapsule
merge(self : rosetta.core.scoring.ScoreFunction, scorefxn_to_be_merged : rosetta.core.scoring.ScoreFunction) -> NoneType
 
Merges in the weights of another score function
 
 example(s):
     scorefxn.merge(scorefxn2)
 See also:
     ScoreFunction
     ScoreFunction.weights
     Energies
     create_score_function
name(...) from builtins.PyCapsule
name(self : rosetta.core.scoring.ScoreFunction, weights_tag : str) -> NoneType
 
Accumulates the unweighted one body energies of all context
 independent one body energies for  <pose>  Residue  <rsd>  into
 EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
perturb_weights(...) from builtins.PyCapsule
perturb_weights(rosetta.core.scoring.ScoreFunction) -> NoneType
 
Randomly perturbs non-zero score function weights
prepare_rotamers_for_packing(...) from builtins.PyCapsule
prepare_rotamers_for_packing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, set : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
Lets the scoring functions cache anything they need to rapidly
 calculate rotamer pair energies used in packing (like a trie, e.g.)
ready_for_nonideal_scoring(...) from builtins.PyCapsule
ready_for_nonideal_scoring(rosetta.core.scoring.ScoreFunction) -> bool
reinitialize_minnode_for_residue(...) from builtins.PyCapsule
reinitialize_minnode_for_residue(self : rosetta.core.scoring.ScoreFunction, min_node : core::scoring::MinimizationNode, rsd : rosetta.core.conformation.Residue, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose) -> NoneType
reset(...) from builtins.PyCapsule
reset(rosetta.core.scoring.ScoreFunction) -> NoneType
 
Resets the ScoreFunction to default values
reset_energy_methods(...) from builtins.PyCapsule
reset_energy_methods(rosetta.core.scoring.ScoreFunction) -> NoneType
score(...) from builtins.PyCapsule
score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> float
 
Scores the given  <pose>  using this ScoreFunction. Alters the
 Energies object within  <pose>, but does not alter this ScoreFunction
 
 
: Synonym for () operator. Makes code look a little nicer. Doesn't
 do anything but call () operator.
score_by_scoretype(...) from builtins.PyCapsule
score_by_scoretype(*args, **kwargs)
Overloaded function.
 
1. score_by_scoretype(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, t : rosetta.core.scoring.ScoreType) -> float
 
Returns the score of the ScoreType  <t>
 
2. score_by_scoretype(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, t : rosetta.core.scoring.ScoreType, weighted : bool) -> float
 
Returns the score of the ScoreType  <t>
score_types_by_method_type(...) from builtins.PyCapsule
score_types_by_method_type(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.methods.EnergyMethodType) -> rosetta.utility.vector1_core_scoring_ScoreType
serialize_weights(...) from builtins.PyCapsule
serialize_weights(rosetta.core.scoring.ScoreFunction) -> str
 
Serializes the non-zero score function term weights
 Format: { term : weight, ... }
set_energy_method_options(...) from builtins.PyCapsule
set_energy_method_options(self : rosetta.core.scoring.ScoreFunction, energy_method_options_in : core::scoring::methods::EnergyMethodOptions) -> NoneType
 
Sets the EnergyMethodOptions object contained in this ScoreFunction.
 with appropriate update of all the energy methods.
set_etable(...) from builtins.PyCapsule
set_etable(self : rosetta.core.scoring.ScoreFunction, etable_name : str) -> NoneType
 
Given a  <filename> (represented by a std::string), set the
 e_table for this ScoreFunction.
set_method_weights(...) from builtins.PyCapsule
set_method_weights(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType, wts : rosetta.utility.vector1_double) -> NoneType
set_weight(...) from builtins.PyCapsule
set_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
 
Sets the weight for ScoreType  <t>  to  <setting>
 
 example(s):
     scorefxn.set_weight(fa_sol,.5)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
set_weight_if_zero(...) from builtins.PyCapsule
set_weight_if_zero(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
 
Sets the weight for ScoreType  <t>  to  <setting> if weight is originally zero
 
 example(s):
     scorefxn.set_weight_if_zero(fa_sol,.5)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
setup_for_lr2benmeth_minimization_for_respair(...) from builtins.PyCapsule
setup_for_lr2benmeth_minimization_for_respair(*args, **kwargs)
Overloaded function.
 
1. setup_for_lr2benmeth_minimization_for_respair(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, lr2benergy : core::scoring::methods::LongRangeTwoBodyEnergy, g : core::scoring::MinimizationGraph, min_map : core::kinematics::MinimizerMapBase, p : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, rni : core::scoring::ResidueNeighborConstIterator, fixed_energies : rosetta.core.scoring.EMapVector) -> NoneType
 
Initialize an edge in the MinimizationGraph with a particular long-range two body
 
2. setup_for_lr2benmeth_minimization_for_respair(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, lr2benergy : core::scoring::methods::LongRangeTwoBodyEnergy, g : core::scoring::MinimizationGraph, min_map : core::kinematics::MinimizerMapBase, p : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, rni : core::scoring::ResidueNeighborConstIterator, fixed_energies : rosetta.core.scoring.EMapVector, edge_weight : float) -> NoneType
 
Initialize an edge in the MinimizationGraph with a particular long-range two body
 
3. setup_for_lr2benmeth_minimization_for_respair(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, lr2benergy : core::scoring::methods::LongRangeTwoBodyEnergy, g : core::scoring::MinimizationGraph, min_map : core::kinematics::MinimizerMapBase, p : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, rni : core::scoring::ResidueNeighborConstIterator, fixed_energies : rosetta.core.scoring.EMapVector, edge_weight : float, edge_dweight : float) -> NoneType
 
Initialize an edge in the MinimizationGraph with a particular long-range two body
setup_for_minimizing(...) from builtins.PyCapsule
setup_for_minimizing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, min_map : core::kinematics::MinimizerMapBase) -> NoneType
 
Initializes a MinimizationGraph and caches it in
 Energies object of  <pose>
 
 
: for use during minimization
setup_for_minimizing_for_node(...) from builtins.PyCapsule
setup_for_minimizing_for_node(self : rosetta.core.scoring.ScoreFunction, min_node : core::scoring::MinimizationNode, rsd : rosetta.core.conformation.Residue, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose, accumulate_fixed_energies : bool, fixed_energies : rosetta.core.scoring.EMapVector) -> NoneType
 
Initialize a single node of a MinimizationGraph with the one-body and two-body
 energy methods that are held within this ScoreFunction object.
setup_for_minimizing_sr2b_enmeths_for_minedge(...) from builtins.PyCapsule
setup_for_minimizing_sr2b_enmeths_for_minedge(*args, **kwargs)
Overloaded function.
 
1. setup_for_minimizing_sr2b_enmeths_for_minedge(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, min_edge : core::scoring::MinimizationEdge, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, energy_edge : core::scoring::EnergyEdge, fixed_energies : rosetta.core.scoring.EMapVector) -> NoneType
 
Initialize a single MinimizationEdge for a particular part of residues, storing
 sr2b energy method pointers on the edge for those sr2b energy methods in this ScoreFunction
 
2. setup_for_minimizing_sr2b_enmeths_for_minedge(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, min_edge : core::scoring::MinimizationEdge, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, energy_edge : core::scoring::EnergyEdge, fixed_energies : rosetta.core.scoring.EMapVector, edge_weight : float) -> NoneType
 
Initialize a single MinimizationEdge for a particular part of residues, storing
 sr2b energy method pointers on the edge for those sr2b energy methods in this ScoreFunction
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residues_repacking : rosetta.utility.vector1_bool, residues_designing : rosetta.utility.vector1_bool) -> NoneType
 
Lets the scoring functions cache anything they need to calculate
 energies in a packing step (rotamer_trials or pack_rotamers)
 
 
: the Etable caches tries for each of the residues, the
 hydrogen bond function caches backbone/backbone hydrogen bonds
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
 
For external scorers: Let the energy methods prepare for
 evaluating their scores on a particular structure
 
 
: invoked during scoring.
show(...) from builtins.PyCapsule
show(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
 
Scores  <pose>  and shows the raw and weighted scores for each
 non-zero ScoreType
 
 
: this function is mostly for convenience in PyRosetta
 
 example(s):
     scorefxn.show(pose)
 See also:
     ScoreFunction
     ScoreFunction.weights
     Energies
     create_score_function
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, resid : int) -> NoneType
 
If inside packing, the pose changes conformation, inform the
 scoring functions that any data they have cached in the Energies object
 is out of date. In particular, this is to update the trie(s) during
 rotamer trials.
weights(...) from builtins.PyCapsule
weights(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.EMapVector
 
Returns an EnergyMap of the current set of weights
 
 example(s):
     scorefxn.weights()
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
whole_structure_types(...) from builtins.PyCapsule
whole_structure_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
ws_methods_begin(...) from builtins.PyCapsule
ws_methods_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::WholeStructureEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> > > >
ws_methods_end(...) from builtins.PyCapsule
ws_methods_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::WholeStructureEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> > > >

 
class MinimizationEdge(rosetta.core.graph.Edge)
    Class MinimizationEdge holds ResPairMinimizationData for a certain pair
of interacting residues; this data might be a neighborlist for this residue
pair, for example.  The data held in this edge will be used in both scoring
the residue-pair energies and evaluating atom derivatives during minimization.
 
 
Method resolution order:
MinimizationEdge
rosetta.core.graph.Edge
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, owner : core::scoring::MinimizationGraph, n1 : int, n2 : int) -> NoneType
 
2. __init__(self : handle, owner : core::scoring::MinimizationGraph, example_edge : rosetta.core.scoring.MinimizationEdge) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
active_2benmeths_begin(...) from builtins.PyCapsule
active_2benmeths_begin(rosetta.core.scoring.MinimizationEdge) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
active_2benmeths_end(...) from builtins.PyCapsule
active_2benmeths_end(rosetta.core.scoring.MinimizationEdge) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
active_2benmeths_ext_begin(...) from builtins.PyCapsule
active_2benmeths_ext_begin(rosetta.core.scoring.MinimizationEdge) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
active_2benmeths_ext_end(...) from builtins.PyCapsule
active_2benmeths_ext_end(rosetta.core.scoring.MinimizationEdge) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
active_2benmeths_std_begin(...) from builtins.PyCapsule
active_2benmeths_std_begin(rosetta.core.scoring.MinimizationEdge) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
active_2benmeths_std_end(...) from builtins.PyCapsule
active_2benmeths_std_end(rosetta.core.scoring.MinimizationEdge) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
add_twobody_enmeth(...) from builtins.PyCapsule
add_twobody_enmeth(self : rosetta.core.scoring.MinimizationEdge, enmeth : core::scoring::methods::TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, residues_mwrt_eachother : bool) -> bool
 
Include a particular energy method as part of this edge.  It may not show up
 in the active energy methods should this energy method not define an energy for the
 residues.
any_active_enmeths(...) from builtins.PyCapsule
any_active_enmeths(rosetta.core.scoring.MinimizationEdge) -> bool
 
It may be possible to determine that an edge does not need to belong to the
 minimization graph if there are no active two-body energy methods; this is a convenience
 function that answers quickly if active_2benmths_.begin() == active_2benmeths_.end().
copy_from(...) from builtins.PyCapsule
copy_from(self : rosetta.core.scoring.MinimizationEdge, source : rosetta.core.graph.Edge) -> NoneType
 
Copy the data held on the example edge, source.
 The source edge must be castable to class MinimizationEdge.
count_dynamic_memory(...) from builtins.PyCapsule
count_dynamic_memory(rosetta.core.scoring.MinimizationEdge) -> int
count_static_memory(...) from builtins.PyCapsule
count_static_memory(rosetta.core.scoring.MinimizationEdge) -> int
dweight(...) from builtins.PyCapsule
dweight(*args, **kwargs)
Overloaded function.
 
1. dweight(rosetta.core.scoring.MinimizationEdge) -> float
 
2. dweight(self : rosetta.core.scoring.MinimizationEdge, setting : float) -> NoneType
reinitialize_active_energy_methods(...) from builtins.PyCapsule
reinitialize_active_energy_methods(self : rosetta.core.scoring.MinimizationEdge, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool) -> NoneType
 
Setup the active and inactive energy methods
res_pair_min_data(...) from builtins.PyCapsule
res_pair_min_data(*args, **kwargs)
Overloaded function.
 
1. res_pair_min_data(rosetta.core.scoring.MinimizationEdge) -> rosetta.core.scoring.ResPairMinimizationData
 
2. res_pair_min_data(rosetta.core.scoring.MinimizationEdge) -> rosetta.core.scoring.ResPairMinimizationData
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.MinimizationEdge, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
 
Initialize the active energy methods for derivative evaluation
setup_for_minimizing(...) from builtins.PyCapsule
setup_for_minimizing(self : rosetta.core.scoring.MinimizationEdge, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_map : rosetta.core.kinematics.MinimizerMapBase) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.MinimizationEdge, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
 
Initialize the active energy methods for score function evaluation
sfd_req_2benmeths_begin(...) from builtins.PyCapsule
sfd_req_2benmeths_begin(rosetta.core.scoring.MinimizationEdge) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
sfd_req_2benmeths_end(...) from builtins.PyCapsule
sfd_req_2benmeths_end(rosetta.core.scoring.MinimizationEdge) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
sfs_req_2benmeths_begin(...) from builtins.PyCapsule
sfs_req_2benmeths_begin(rosetta.core.scoring.MinimizationEdge) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
sfs_req_2benmeths_end(...) from builtins.PyCapsule
sfs_req_2benmeths_end(rosetta.core.scoring.MinimizationEdge) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
weight(...) from builtins.PyCapsule
weight(*args, **kwargs)
Overloaded function.
 
1. weight(rosetta.core.scoring.MinimizationEdge) -> float
 
The minimization graph will allow the storage of edge weights, should that
 prove useful for any application (e.g. symmetric minimization)
 
2. weight(self : rosetta.core.scoring.MinimizationEdge, setting : float) -> NoneType
 
Set the weight for an edge

Methods inherited from rosetta.core.graph.Edge:
get_first_node_ind(...) from builtins.PyCapsule
get_first_node_ind(rosetta.core.graph.Edge) -> int
 
returns the index of the lower node
get_other_ind(...) from builtins.PyCapsule
get_other_ind(self : rosetta.core.graph.Edge, node_index : int) -> int
 
returns the index of the one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
get_other_node(...) from builtins.PyCapsule
get_other_node(*args, **kwargs)
Overloaded function.
 
1. get_other_node(self : rosetta.core.graph.Edge, node_index : int) -> rosetta.core.graph.Node
 
returns a const pointer to one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
 
2. get_other_node(self : rosetta.core.graph.Edge, node_index : int) -> rosetta.core.graph.Node
 
returns a non-const pointer to one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
get_second_node_ind(...) from builtins.PyCapsule
get_second_node_ind(rosetta.core.graph.Edge) -> int
 
returns the index of the upper node
is_loop(...) from builtins.PyCapsule
is_loop(rosetta.core.graph.Edge) -> bool
 
Is this edge a loop? In Pseudographs, loop edges are incident twice on a single vertex.
same_edge(...) from builtins.PyCapsule
same_edge(self : rosetta.core.graph.Edge, node1 : int, node2 : int) -> bool
 
Is this the same edge as another edge (node1,node2)?  Note:
 this graph does not work for multi-graphs.  Edges must be unique.
set_pos_in_owners_list(...) from builtins.PyCapsule
set_pos_in_owners_list(self : rosetta.core.graph.Edge, edge_iterator : rosetta.core.graph.EdgeListIterator) -> NoneType
 
called only by class Graph, this function gives the Edge the data it needs
 to later delete itself from its owner's edge list in constant time.

 
class MinimizationGraph(rosetta.core.graph.Graph)
    Class to hold all the minimization-specific data that's required
to efficiently evaluate the score function and its derivatives on a structure
of fixed sequence and chemical identity.
 
 
Method resolution order:
MinimizationGraph
rosetta.core.graph.Graph
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, num_nodes : int) -> NoneType
 
2. __init__(handle) -> NoneType
 
3. __init__(handle, rosetta.core.scoring.MinimizationGraph) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_whole_pose_context_enmeth(...) from builtins.PyCapsule
add_whole_pose_context_enmeth(self : rosetta.core.scoring.MinimizationGraph, enmeth : rosetta.core.scoring.methods.EnergyMethod) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.MinimizationGraph, rhs : rosetta.core.scoring.MinimizationGraph) -> rosetta.core.scoring.MinimizationGraph
delete_edge(...) from builtins.PyCapsule
delete_edge(self : rosetta.core.scoring.MinimizationGraph, edge : rosetta.core.graph.Edge) -> NoneType
find_minimization_edge(...) from builtins.PyCapsule
find_minimization_edge(*args, **kwargs)
Overloaded function.
 
1. find_minimization_edge(self : rosetta.core.scoring.MinimizationGraph, n1 : int, n2 : int) -> rosetta.core.scoring.MinimizationEdge
 
2. find_minimization_edge(self : rosetta.core.scoring.MinimizationGraph, n1 : int, n2 : int) -> rosetta.core.scoring.MinimizationEdge
fixed_energies(...) from builtins.PyCapsule
fixed_energies(rosetta.core.scoring.MinimizationGraph) -> rosetta.core.scoring.EMapVector
get_minimization_node(...) from builtins.PyCapsule
get_minimization_node(*args, **kwargs)
Overloaded function.
 
1. get_minimization_node(self : rosetta.core.scoring.MinimizationGraph, index : int) -> rosetta.core.scoring.MinimizationNode
 
2. get_minimization_node(self : rosetta.core.scoring.MinimizationGraph, index : int) -> rosetta.core.scoring.MinimizationNode
set_fixed_energies(...) from builtins.PyCapsule
set_fixed_energies(self : rosetta.core.scoring.MinimizationGraph,  : rosetta.core.scoring.EMapVector) -> NoneType
whole_pose_context_enmeths_begin(...) from builtins.PyCapsule
whole_pose_context_enmeths_begin(rosetta.core.scoring.MinimizationGraph) -> std::_List_const_iterator<std::shared_ptr<core::scoring::methods::EnergyMethod const> >
whole_pose_context_enmeths_end(...) from builtins.PyCapsule
whole_pose_context_enmeths_end(rosetta.core.scoring.MinimizationGraph) -> std::_List_const_iterator<std::shared_ptr<core::scoring::methods::EnergyMethod const> >

Methods inherited from rosetta.core.graph.Graph:
add_edge(...) from builtins.PyCapsule
add_edge(*args, **kwargs)
Overloaded function.
 
1. add_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
add an edge between two vertices.  Invokes "create_edge" from the derived class.
 Returns a pointer to the edge after its been added, allowing the calling function
 to immediately set data for this edge.
 
2. add_edge(self : rosetta.core.graph.Graph, example_edge : rosetta.core.graph.Edge) -> rosetta.core.graph.Edge
 
add an edge to this graph copying the data from an edge in another graph.
 Returns a pointer to the edge after its been added, allowing the calling function
 to immediately set data for this edge.
all_pairs_shortest_paths(...) from builtins.PyCapsule
all_pairs_shortest_paths(rosetta.core.graph.Graph) -> ObjexxFCL::FArray2D<int>
 
O(V^3).  Computes all pairs shortest paths using Warshall's algorithm
 and writes all the path distances to the two-dimensional table.
const_edge_list_begin(...) from builtins.PyCapsule
const_edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
const_edge_list_end(...) from builtins.PyCapsule
const_edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
copy_connectivity(...) from builtins.PyCapsule
copy_connectivity(self : rosetta.core.graph.Graph, source : rosetta.core.graph.Graph) -> NoneType
 
copy the edge connectivity from a source graph with a potentially
 unknown type.
drop_all_edges(...) from builtins.PyCapsule
drop_all_edges(rosetta.core.graph.Graph) -> NoneType
 
delete all the edges present in the graph
drop_all_edges_for_node(...) from builtins.PyCapsule
drop_all_edges_for_node(self : rosetta.core.graph.Graph, node : int) -> NoneType
 
delete all the edges for a single vertex in the graph
edge_list_begin(...) from builtins.PyCapsule
edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
edge_list_end(...) from builtins.PyCapsule
edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
find_edge(...) from builtins.PyCapsule
find_edge(*args, **kwargs)
Overloaded function.
 
1. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
returns a pointer to the edge connecting nodes node1 and node2, if that edge exists
 in the graph, o.w. returns 0.  Focuses the graph on this edge for fast subsequent retrieval.
 
2. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
returns a const pointer to the edge connecting nodes node1 and node2, if that edge exists
 in the graph, o.w. returns 0.  Focuses the graph on this edge for fast subsequent retrieval.
focused_edge(...) from builtins.PyCapsule
focused_edge(*args, **kwargs)
Overloaded function.
 
1. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
 
returns a pointer to the focused edge
 
2. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
 
returns a const-pointer to the focused edge
getTotalMemoryUsage(...) from builtins.PyCapsule
getTotalMemoryUsage(rosetta.core.graph.Graph) -> int
 
returns a count of all the memory used by every vertex and edge in a graph
 by invoking the polymorphic count_static_memory and count_dynamic_memory of each
 (possibly derived) node and edge object as well as for the (possibly derived) graph
 class.
get_edge_exists(...) from builtins.PyCapsule
get_edge_exists(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> bool
 
is an edge already present in the graph? O(V) worst case.  O(1) iff all vertices have O(1) edges
get_node(...) from builtins.PyCapsule
get_node(*args, **kwargs)
Overloaded function.
 
1. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
 
2. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
 
self pointers
 
2. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
num_edges(...) from builtins.PyCapsule
num_edges(rosetta.core.graph.Graph) -> int
num_nodes(...) from builtins.PyCapsule
num_nodes(rosetta.core.graph.Graph) -> int
 
the number of nodes in the graph
print_vertices(...) from builtins.PyCapsule
print_vertices(rosetta.core.graph.Graph) -> NoneType
 
send summary information to the screen for all vertices in the graph
set_num_nodes(...) from builtins.PyCapsule
set_num_nodes(self : rosetta.core.graph.Graph, num_nodes : int) -> NoneType
 
set the number of nodes in the graph -- deletes any existing edges in the graph

 
class MinimizationNode(rosetta.core.graph.Node)
    Class MinimizationNode holds the ResSingleMinimizationData information for
a single residue in a Pose which is being minimized. The data held in this
node will be used in both scoring the residue one-body energies and evaluating
atom derivatives during minimization.
 
 
Method resolution order:
MinimizationNode
rosetta.core.graph.Node
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle, owner : rosetta.core.graph.Graph, index : int) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
active_1benmeths_begin(...) from builtins.PyCapsule
active_1benmeths_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
active_1benmeths_end(...) from builtins.PyCapsule
active_1benmeths_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
active_1benmeths_ext_begin(...) from builtins.PyCapsule
active_1benmeths_ext_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
active_1benmeths_ext_end(...) from builtins.PyCapsule
active_1benmeths_ext_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
active_1benmeths_std_begin(...) from builtins.PyCapsule
active_1benmeths_std_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
active_1benmeths_std_end(...) from builtins.PyCapsule
active_1benmeths_std_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
active_intrares2benmeths_begin(...) from builtins.PyCapsule
active_intrares2benmeths_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
active_intrares2benmeths_end(...) from builtins.PyCapsule
active_intrares2benmeths_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
active_intrares2benmeths_ext_begin(...) from builtins.PyCapsule
active_intrares2benmeths_ext_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
active_intrares2benmeths_ext_end(...) from builtins.PyCapsule
active_intrares2benmeths_ext_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
active_intrares2benmeths_std_begin(...) from builtins.PyCapsule
active_intrares2benmeths_std_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
active_intrares2benmeths_std_end(...) from builtins.PyCapsule
active_intrares2benmeths_std_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
add_onebody_enmeth(...) from builtins.PyCapsule
add_onebody_enmeth(self : rosetta.core.scoring.MinimizationNode, enmeth : rosetta.core.scoring.methods.OneBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, domain_map_color : int) -> bool
add_twobody_enmeth(...) from builtins.PyCapsule
add_twobody_enmeth(self : rosetta.core.scoring.MinimizationNode, enmeth : core::scoring::methods::TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, domain_map_color : int) -> bool
copy_from(...) from builtins.PyCapsule
copy_from(self : rosetta.core.scoring.MinimizationNode, source : rosetta.core.graph.Node) -> NoneType
count_dynamic_memory(...) from builtins.PyCapsule
count_dynamic_memory(rosetta.core.scoring.MinimizationNode) -> int
count_static_memory(...) from builtins.PyCapsule
count_static_memory(rosetta.core.scoring.MinimizationNode) -> int
dof_deriv_1benmeths_begin(...) from builtins.PyCapsule
dof_deriv_1benmeths_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
dof_deriv_1benmeths_end(...) from builtins.PyCapsule
dof_deriv_1benmeths_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
dof_deriv_2benmeths_begin(...) from builtins.PyCapsule
dof_deriv_2benmeths_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
dof_deriv_2benmeths_end(...) from builtins.PyCapsule
dof_deriv_2benmeths_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
dweight(...) from builtins.PyCapsule
dweight(*args, **kwargs)
Overloaded function.
 
1. dweight(rosetta.core.scoring.MinimizationNode) -> float
 
2. dweight(self : rosetta.core.scoring.MinimizationNode, setting : float) -> NoneType
print(...) from builtins.PyCapsule
print(rosetta.core.scoring.MinimizationNode) -> NoneType
res_min_data(...) from builtins.PyCapsule
res_min_data(*args, **kwargs)
Overloaded function.
 
1. res_min_data(rosetta.core.scoring.MinimizationNode) -> rosetta.core.scoring.ResSingleMinimizationData
 
2. res_min_data(rosetta.core.scoring.MinimizationNode) -> rosetta.core.scoring.ResSingleMinimizationData
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.MinimizationNode, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
setup_for_minimizing(...) from builtins.PyCapsule
setup_for_minimizing(self : rosetta.core.scoring.MinimizationNode, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_map : rosetta.core.kinematics.MinimizerMapBase) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.MinimizationNode, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
sfd_req_1benmeths_begin(...) from builtins.PyCapsule
sfd_req_1benmeths_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
sfd_req_1benmeths_end(...) from builtins.PyCapsule
sfd_req_1benmeths_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
sfd_req_2benmeths_begin(...) from builtins.PyCapsule
sfd_req_2benmeths_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
sfd_req_2benmeths_end(...) from builtins.PyCapsule
sfd_req_2benmeths_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
sfs_req_1benmeths_begin(...) from builtins.PyCapsule
sfs_req_1benmeths_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
sfs_req_1benmeths_end(...) from builtins.PyCapsule
sfs_req_1benmeths_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::OneBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::OneBodyEnergy const> > > >
sfs_req_2benmeths_begin(...) from builtins.PyCapsule
sfs_req_2benmeths_begin(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
sfs_req_2benmeths_end(...) from builtins.PyCapsule
sfs_req_2benmeths_end(rosetta.core.scoring.MinimizationNode) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy const> > > >
update_active_enmeths_for_residue(...) from builtins.PyCapsule
update_active_enmeths_for_residue(self : rosetta.core.scoring.MinimizationNode, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, domain_map_color : int) -> NoneType
weight(...) from builtins.PyCapsule
weight(*args, **kwargs)
Overloaded function.
 
1. weight(rosetta.core.scoring.MinimizationNode) -> float
 
2. weight(self : rosetta.core.scoring.MinimizationNode, setting : float) -> NoneType

Methods inherited from rosetta.core.graph.Node:
add_edge(...) from builtins.PyCapsule
add_edge(self : rosetta.core.graph.Node, edge_ptr : core::graph::Edge,  : rosetta.core.graph.EdgeListIterator) -> NoneType
 
adds edge pointer to edge list; returns an iterator to the new
 list element
const_edge_list_begin(...) from builtins.PyCapsule
const_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its edge list
const_edge_list_end(...) from builtins.PyCapsule
const_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its edge list
const_lower_edge_list_begin(...) from builtins.PyCapsule
const_lower_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its lower-edge list
const_lower_edge_list_end(...) from builtins.PyCapsule
const_lower_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its lower-edge list
const_upper_edge_list_begin(...) from builtins.PyCapsule
const_upper_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its upper-edge list
const_upper_edge_list_end(...) from builtins.PyCapsule
const_upper_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its upper-edge list
drop_all_edges(...) from builtins.PyCapsule
drop_all_edges(rosetta.core.graph.Node) -> NoneType
 
deletes all edges incident upon this node
drop_edge(...) from builtins.PyCapsule
drop_edge(self : rosetta.core.graph.Node, edge_iterator : rosetta.core.graph.EdgeListIterator) -> NoneType
 
removes an edge iterator from the node's edge list.  Only called by Edge class.
edge_list_begin(...) from builtins.PyCapsule
edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its edge list
edge_list_end(...) from builtins.PyCapsule
edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its edge list
find_edge(...) from builtins.PyCapsule
find_edge(*args, **kwargs)
Overloaded function.
 
1. find_edge(self : rosetta.core.graph.Node, other_node_index : int) -> core::graph::Edge
 
a "slow" (linear) search for an edge.
 
2. find_edge(self : rosetta.core.graph.Node, other_node_index : int) -> core::graph::Edge
get_node_index(...) from builtins.PyCapsule
get_node_index(rosetta.core.graph.Node) -> int
 
the index for this node
get_num_edges_to_larger_indexed_nodes(...) from builtins.PyCapsule
get_num_edges_to_larger_indexed_nodes(rosetta.core.graph.Node) -> int
 
the number of upper neighbors -- which "self" neighborness is counted if a loop edge
 is present
get_num_edges_to_smaller_indexed_nodes(...) from builtins.PyCapsule
get_num_edges_to_smaller_indexed_nodes(rosetta.core.graph.Node) -> int
 
the number of lower neighbors
loop_incident(...) from builtins.PyCapsule
loop_incident(rosetta.core.graph.Node) -> bool
 
NOTE TO SELF: remove loop support
lower_edge_list_begin(...) from builtins.PyCapsule
lower_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its lower-edge list
lower_edge_list_end(...) from builtins.PyCapsule
lower_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its lower-edge list
num_edges(...) from builtins.PyCapsule
num_edges(rosetta.core.graph.Node) -> int
 
the number of edges incident on this node, which may include a loop edge
num_neighbors_counting_self(...) from builtins.PyCapsule
num_neighbors_counting_self(rosetta.core.graph.Node) -> int
 
the number of neighbors counting "self" as a neighbor.
num_neighbors_counting_self_static(...) from builtins.PyCapsule
num_neighbors_counting_self_static(rosetta.core.graph.Node) -> int
 
the number of neighbors counting "self" as neighbor. Defaults to
 num_neighbors_counting_self() but can be set to other values as well.
 Useful in calculation of symmetrical structures.
set_num_neighbors_counting_self_static(...) from builtins.PyCapsule
set_num_neighbors_counting_self_static(self : rosetta.core.graph.Node, neighbor : int) -> NoneType
 
manually change the number of neighbors for a Node. Used
 for symmetry scoring
upper_edge_list_begin(...) from builtins.PyCapsule
upper_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its upper-edge list
upper_edge_list_end(...) from builtins.PyCapsule
upper_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its upper-edge list

 
class MultipoleAxisType(builtins.object)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(rosetta.core.scoring.MultipoleAxisType, rosetta.core.scoring.MultipoleAxisType) -> bool
__hash__(...) from builtins.PyCapsule
__hash__(rosetta.core.scoring.MultipoleAxisType) -> int
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.MultipoleAxisType, int) -> NoneType
 
2. __init__(rosetta.core.scoring.MultipoleAxisType, int) -> NoneType
__int__(...) from builtins.PyCapsule
__int__(rosetta.core.scoring.MultipoleAxisType) -> int
__ne__(...) from builtins.PyCapsule
__ne__(rosetta.core.scoring.MultipoleAxisType, rosetta.core.scoring.MultipoleAxisType) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__repr__(...) from builtins.PyCapsule
__repr__(rosetta.core.scoring.MultipoleAxisType) -> str

Data and other attributes defined here:
bisector = MultipoleAxisType.bisector
none = MultipoleAxisType.none
three_fold = MultipoleAxisType.three_fold
z_axis_only = MultipoleAxisType.z_axis_only
z_then_bisector = MultipoleAxisType.z_then_bisector
z_then_x = MultipoleAxisType.z_then_x

 
class MultipoleElecPoseInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
MultipoleElecPoseInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.MultipoleElecPoseInfo) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.MultipoleElecPoseInfo,  : rosetta.core.scoring.MultipoleElecPoseInfo) -> rosetta.core.scoring.MultipoleElecPoseInfo
being_packed(...) from builtins.PyCapsule
being_packed(self : rosetta.core.scoring.MultipoleElecPoseInfo, seqpos : int) -> bool
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.MultipoleElecPoseInfo) -> rosetta.basic.datacache.CacheableData
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.MultipoleElecPoseInfo, pose : rosetta.core.pose.Pose) -> NoneType
placeholder_info(...) from builtins.PyCapsule
placeholder_info(self : rosetta.core.scoring.MultipoleElecPoseInfo, seqpos : int) -> rosetta.core.scoring.MultipoleElecResidueInfo
placeholder_residue(...) from builtins.PyCapsule
placeholder_residue(self : rosetta.core.scoring.MultipoleElecPoseInfo, seqpos : int) -> rosetta.core.conformation.Residue
residue_info(...) from builtins.PyCapsule
residue_info(*args, **kwargs)
Overloaded function.
 
1. residue_info(self : rosetta.core.scoring.MultipoleElecPoseInfo, i : int) -> rosetta.core.scoring.MultipoleElecResidueInfo
 
2. residue_info(self : rosetta.core.scoring.MultipoleElecPoseInfo, i : int) -> rosetta.core.scoring.MultipoleElecResidueInfo
set_placeholder(...) from builtins.PyCapsule
set_placeholder(self : rosetta.core.scoring.MultipoleElecPoseInfo, i : int, rsd : rosetta.core.conformation.Residue, info : rosetta.core.scoring.MultipoleElecResidueInfo) -> NoneType
set_repack_list(...) from builtins.PyCapsule
set_repack_list(self : rosetta.core.scoring.MultipoleElecPoseInfo, repacking_residues : rosetta.utility.vector1_bool) -> NoneType
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.MultipoleElecPoseInfo) -> int

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class MultipoleElecPotential(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.MultipoleElecPotential) -> NoneType
 
2. __init__(self : rosetta.core.scoring.MultipoleElecPotential,  : rosetta.core.scoring.MultipoleElecPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
align_multipole_axes(...) from builtins.PyCapsule
align_multipole_axes(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
called prior to scoring, eg
align_residue_multipole_axes(...) from builtins.PyCapsule
align_residue_multipole_axes(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, mp : rosetta.core.scoring.MultipoleElecResidueInfo) -> NoneType
 
called prior to scoring, eg
amoeba_type_lookup(...) from builtins.PyCapsule
amoeba_type_lookup(self : rosetta.core.scoring.MultipoleElecPotential, atomname : str, resname : str, variantname : str) -> int
 
Look up Amoeba type by resname/atomname/variant name
assign_all_amoeba_types(...) from builtins.PyCapsule
assign_all_amoeba_types(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
called prior to scoring, eg
assign_residue_amoeba_type(...) from builtins.PyCapsule
assign_residue_amoeba_type(self : rosetta.core.scoring.MultipoleElecPotential, rsd : rosetta.core.conformation.Residue, mp : rosetta.core.scoring.MultipoleElecResidueInfo) -> NoneType
 
called prior to scoring, eg
build_frame_and_rotate(...) from builtins.PyCapsule
build_frame_and_rotate(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose, mp_param : rosetta.core.scoring.MultipoleParameter, orig_atom : int, mp : rosetta.core.scoring.MultipoleElecResidueInfo, rsd : rosetta.core.conformation.Residue) -> NoneType
 
Build the matrix to rotate from the local frame to the
 global one.
calculate_and_store_all_derivs(...) from builtins.PyCapsule
calculate_and_store_all_derivs(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
calculate_fixed_fields_for_polarization(...) from builtins.PyCapsule
calculate_fixed_fields_for_polarization(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
Get the electric field due to permanent multipoles
calculate_induced_fields_for_polarization(...) from builtins.PyCapsule
calculate_induced_fields_for_polarization(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
Get the electric field due to permanent multipoles
calculate_res_res_fixed_fields_for_polarization(...) from builtins.PyCapsule
calculate_res_res_fixed_fields_for_polarization(self : rosetta.core.scoring.MultipoleElecPotential, rsd1 : rosetta.core.conformation.Residue, mp1 : rosetta.core.scoring.MultipoleElecResidueInfo, rsd2 : rosetta.core.conformation.Residue, mp2 : rosetta.core.scoring.MultipoleElecResidueInfo) -> NoneType
calculate_res_res_induced_fields_for_polarization(...) from builtins.PyCapsule
calculate_res_res_induced_fields_for_polarization(self : rosetta.core.scoring.MultipoleElecPotential, rsd1 : rosetta.core.conformation.Residue, mp1 : rosetta.core.scoring.MultipoleElecResidueInfo, rsd2 : rosetta.core.conformation.Residue, mp2 : rosetta.core.scoring.MultipoleElecResidueInfo) -> NoneType
clear_induced_fields(...) from builtins.PyCapsule
clear_induced_fields(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
Zero out the fields due to induced dipoles
determine_polarization_groups(...) from builtins.PyCapsule
determine_polarization_groups(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
called prior to scoring, eg
eval_residue_pair_derivatives(...) from builtins.PyCapsule
eval_residue_pair_derivatives(self : rosetta.core.scoring.MultipoleElecPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, mp1 : rosetta.core.scoring.MultipoleElecResidueInfo, mp2 : rosetta.core.scoring.MultipoleElecResidueInfo, pose : rosetta.core.pose.Pose, factor : float, r1_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
find_params_and_neighbors(...) from builtins.PyCapsule
find_params_and_neighbors(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose, mp_param : rosetta.core.scoring.MultipoleParameter, mp : rosetta.core.scoring.MultipoleElecResidueInfo, rsd : rosetta.core.conformation.Residue, j : int, this_type : int) -> NoneType
 
Find the appropriate multipole params and axis atoms
get_effective_radii(...) from builtins.PyCapsule
get_effective_radii(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
Get the effective radii for Generalized Kirkwood
get_polarization_from_fields(...) from builtins.PyCapsule
get_polarization_from_fields(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
Get the electric field due to permanent multipoles
get_res_res_elecE(...) from builtins.PyCapsule
get_res_res_elecE(self : rosetta.core.scoring.MultipoleElecPotential, rsd1 : rosetta.core.conformation.Residue, mp1 : rosetta.core.scoring.MultipoleElecResidueInfo, rsd2 : rosetta.core.conformation.Residue, mp2 : rosetta.core.scoring.MultipoleElecResidueInfo) -> float
get_rotamers_effective_radii(...) from builtins.PyCapsule
get_rotamers_effective_radii(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose,  : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
Get the effective radii for Generalized Kirkwood
get_rotamers_multipole_info(...) from builtins.PyCapsule
get_rotamers_multipole_info(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose,  : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
Get the amoeba info for rotamers
get_single_rotamer_effective_radii(...) from builtins.PyCapsule
get_single_rotamer_effective_radii(self : rosetta.core.scoring.MultipoleElecPotential, rsd1 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, mp_info : rosetta.core.scoring.MultipoleElecPoseInfo, mp1 : rosetta.core.scoring.MultipoleElecResidueInfo) -> NoneType
 
Get the effective radii for Generalized Kirkwood
induce_polarizable_dipoles(...) from builtins.PyCapsule
induce_polarizable_dipoles(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
called prior to scoring, eg
read_in_amoeba_parameters(...) from builtins.PyCapsule
read_in_amoeba_parameters(rosetta.core.scoring.MultipoleElecPotential) -> NoneType
 
read in parameters for amoeba and mappings between
 Rosetta residues/atoms and Amoeba types
read_in_multipole_parameters(...) from builtins.PyCapsule
read_in_multipole_parameters(rosetta.core.scoring.MultipoleElecPotential) -> NoneType
 
read in multipole parameters for amoeba types
relax_induced_dipoles(...) from builtins.PyCapsule
relax_induced_dipoles(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose, relax : float) -> float
 
Copies over induced dipoles to storage
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose, repacking_residues : rosetta.utility.vector1_bool) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
store_induced_dipoles(...) from builtins.PyCapsule
store_induced_dipoles(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
Copies over induced dipoles to storage
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.MultipoleElecPotential, pose : rosetta.core.pose.Pose, seqpos : int) -> NoneType

Data descriptors defined here:
Ep
Ew
bohr
use_gen_kirkwood
use_polarization

 
class MultipoleElecResidueInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
MultipoleElecResidueInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
Efield_fixed(...) from builtins.PyCapsule
Efield_fixed(*args, **kwargs)
Overloaded function.
 
1. Efield_fixed(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
 
2. Efield_fixed(rosetta.core.scoring.MultipoleElecResidueInfo) -> rosetta.utility.vector1_numeric_xyzVector_double_t
Efield_induced(...) from builtins.PyCapsule
Efield_induced(*args, **kwargs)
Overloaded function.
 
1. Efield_induced(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
 
2. Efield_induced(rosetta.core.scoring.MultipoleElecResidueInfo) -> rosetta.utility.vector1_numeric_xyzVector_double_t
Efield_rf_fixed(...) from builtins.PyCapsule
Efield_rf_fixed(*args, **kwargs)
Overloaded function.
 
1. Efield_rf_fixed(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
 
2. Efield_rf_fixed(rosetta.core.scoring.MultipoleElecResidueInfo) -> rosetta.utility.vector1_numeric_xyzVector_double_t
Efield_rf_induced(...) from builtins.PyCapsule
Efield_rf_induced(*args, **kwargs)
Overloaded function.
 
1. Efield_rf_induced(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
 
2. Efield_rf_induced(rosetta.core.scoring.MultipoleElecResidueInfo) -> rosetta.utility.vector1_numeric_xyzVector_double_t
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(self : handle, rsd : rosetta.core.conformation.Residue) -> NoneType
 
3. __init__(handle, rosetta.core.scoring.MultipoleElecResidueInfo) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.MultipoleElecResidueInfo,  : rosetta.core.scoring.MultipoleElecResidueInfo) -> rosetta.core.scoring.MultipoleElecResidueInfo
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.MultipoleElecResidueInfo) -> rosetta.basic.datacache.CacheableData
const_my_group(...) from builtins.PyCapsule
const_my_group(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.utility.vector1_core_id_AtomID
coord_frame_ref(...) from builtins.PyCapsule
coord_frame_ref(*args, **kwargs)
Overloaded function.
 
1. coord_frame_ref(rosetta.core.scoring.MultipoleElecResidueInfo) -> rosetta.utility.vector1_core_id_AtomID
 
2. coord_frame_ref(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.core.id.AtomID
copy_clone(...) from builtins.PyCapsule
copy_clone(rosetta.core.scoring.MultipoleElecResidueInfo) -> rosetta.core.scoring.MultipoleElecResidueInfo
dipole(...) from builtins.PyCapsule
dipole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
induced_dipole(...) from builtins.PyCapsule
induced_dipole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
induced_rf_dipole(...) from builtins.PyCapsule
induced_rf_dipole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.MultipoleElecResidueInfo, rsd : rosetta.core.conformation.Residue) -> NoneType
local_coord_matrix(...) from builtins.PyCapsule
local_coord_matrix(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzMatrix_double_t
monopole(...) from builtins.PyCapsule
monopole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> float
mp_param(...) from builtins.PyCapsule
mp_param(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm1 : int) -> core::scoring::MultipoleParameter
my_group(...) from builtins.PyCapsule
my_group(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.utility.vector1_core_id_AtomID
my_local_coord_frame(...) from builtins.PyCapsule
my_local_coord_frame(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.utility.vector1_core_id_AtomID
nonconst_dipole(...) from builtins.PyCapsule
nonconst_dipole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
nonconst_induced_dipole(...) from builtins.PyCapsule
nonconst_induced_dipole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
nonconst_induced_rf_dipole(...) from builtins.PyCapsule
nonconst_induced_rf_dipole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
nonconst_monopole(...) from builtins.PyCapsule
nonconst_monopole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> float
nonconst_mp_param(...) from builtins.PyCapsule
nonconst_mp_param(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm1 : int) -> core::scoring::MultipoleParameter
nonconst_quadrupole(...) from builtins.PyCapsule
nonconst_quadrupole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzMatrix_double_t
nonconst_rKirkwood(...) from builtins.PyCapsule
nonconst_rKirkwood(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> float
nonconst_rosetta_res_type(...) from builtins.PyCapsule
nonconst_rosetta_res_type(rosetta.core.scoring.MultipoleElecResidueInfo) -> str
nonconst_stored_induced_dipole(...) from builtins.PyCapsule
nonconst_stored_induced_dipole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
nonconst_stored_induced_rf_dipole(...) from builtins.PyCapsule
nonconst_stored_induced_rf_dipole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
quadrupole(...) from builtins.PyCapsule
quadrupole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzMatrix_double_t
rKirkwood(...) from builtins.PyCapsule
rKirkwood(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> float
rosetta_res_type(...) from builtins.PyCapsule
rosetta_res_type(rosetta.core.scoring.MultipoleElecResidueInfo) -> str
set_coord_frame_ref(...) from builtins.PyCapsule
set_coord_frame_ref(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int, in_val : rosetta.core.id.AtomID) -> NoneType
set_type(...) from builtins.PyCapsule
set_type(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int, in_val : int) -> NoneType
stored_induced_dipole(...) from builtins.PyCapsule
stored_induced_dipole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
stored_induced_rf_dipole(...) from builtins.PyCapsule
stored_induced_rf_dipole(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> rosetta.numeric.xyzVector_double_t
type(...) from builtins.PyCapsule
type(*args, **kwargs)
Overloaded function.
 
1. type(rosetta.core.scoring.MultipoleElecResidueInfo) -> rosetta.utility.vector1_unsigned_long
 
2. type(self : rosetta.core.scoring.MultipoleElecResidueInfo, atm : int) -> int

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class MultipoleElecRotamerSetInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
MultipoleElecRotamerSetInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle, rosetta.core.scoring.MultipoleElecRotamerSetInfo) -> NoneType
 
2. __init__(self : handle, rotamer_set : rosetta.core.conformation.RotamerSetBase) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.MultipoleElecRotamerSetInfo,  : rosetta.core.scoring.MultipoleElecRotamerSetInfo) -> rosetta.core.scoring.MultipoleElecRotamerSetInfo
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.MultipoleElecRotamerSetInfo) -> rosetta.basic.datacache.CacheableData
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.MultipoleElecRotamerSetInfo, rotamer_set : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
dont forget to 0 the born_radii
residue_info(...) from builtins.PyCapsule
residue_info(*args, **kwargs)
Overloaded function.
 
1. residue_info(self : rosetta.core.scoring.MultipoleElecRotamerSetInfo, i : int) -> rosetta.core.scoring.MultipoleElecResidueInfo
 
2. residue_info(self : rosetta.core.scoring.MultipoleElecRotamerSetInfo, i : int) -> rosetta.core.scoring.MultipoleElecResidueInfo
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.MultipoleElecRotamerSetInfo) -> int

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class MultipoleParameter(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.core.scoring.MultipoleParameter, coord_type_in : rosetta.core.scoring.MultipoleAxisType, atom_type_in : rosetta.utility.vector1_unsigned_long, chirality_sign_in : float, monopole_in : float, dipole_in : rosetta.numeric.xyzVector_double_t, quadrupole_in : rosetta.numeric.xyzMatrix_double_t) -> NoneType
 
2. __init__(self : rosetta.core.scoring.MultipoleParameter,  : rosetta.core.scoring.MultipoleParameter) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.MultipoleParameter,  : rosetta.core.scoring.MultipoleParameter) -> rosetta.core.scoring.MultipoleParameter
atom_type(...) from builtins.PyCapsule
atom_type(rosetta.core.scoring.MultipoleParameter) -> rosetta.utility.vector1_unsigned_long
chirality_sign(...) from builtins.PyCapsule
chirality_sign(rosetta.core.scoring.MultipoleParameter) -> float
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.MultipoleParameter) -> rosetta.core.scoring.MultipoleParameter
coord_type(...) from builtins.PyCapsule
coord_type(rosetta.core.scoring.MultipoleParameter) -> rosetta.core.scoring.MultipoleAxisType
dipole(...) from builtins.PyCapsule
dipole(rosetta.core.scoring.MultipoleParameter) -> rosetta.numeric.xyzVector_double_t
monopole(...) from builtins.PyCapsule
monopole(rosetta.core.scoring.MultipoleParameter) -> float
my_group_members(...) from builtins.PyCapsule
my_group_members(rosetta.core.scoring.MultipoleParameter) -> rosetta.utility.vector1_unsigned_long
pdamp(...) from builtins.PyCapsule
pdamp(rosetta.core.scoring.MultipoleParameter) -> float
polarity(...) from builtins.PyCapsule
polarity(rosetta.core.scoring.MultipoleParameter) -> float
quadrupole(...) from builtins.PyCapsule
quadrupole(rosetta.core.scoring.MultipoleParameter) -> rosetta.numeric.xyzMatrix_double_t
thole(...) from builtins.PyCapsule
thole(rosetta.core.scoring.MultipoleParameter) -> float

 
class NeighborList(builtins.object)
    ////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.core.scoring.NeighborList, domain_map : ObjexxFCL::FArray1D<int>, XX_cutoff : float, XH_cutoff : float, HH_cutoff : float) -> NoneType
 
2. __init__(self : rosetta.core.scoring.NeighborList,  : rosetta.core.scoring.NeighborList) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
atom_neighbors(...) from builtins.PyCapsule
atom_neighbors(*args, **kwargs)
Overloaded function.
 
1. atom_neighbors(self : rosetta.core.scoring.NeighborList, pos : int, atomno : int) -> rosetta.utility.vector1_core_scoring_AtomNeighbor
 
2. atom_neighbors(self : rosetta.core.scoring.NeighborList, id : rosetta.core.id.AtomID) -> rosetta.utility.vector1_core_scoring_AtomNeighbor
check_domain_map(...) from builtins.PyCapsule
check_domain_map(self : rosetta.core.scoring.NeighborList, domain_map_in : ObjexxFCL::FArray1D<int>) -> NoneType
clear(...) from builtins.PyCapsule
clear(rosetta.core.scoring.NeighborList) -> NoneType
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.NeighborList) -> rosetta.core.scoring.NeighborList
disable_auto_update(...) from builtins.PyCapsule
disable_auto_update(rosetta.core.scoring.NeighborList) -> NoneType
domain_map(...) from builtins.PyCapsule
domain_map(rosetta.core.scoring.NeighborList) -> ObjexxFCL::FArray1D<int>
intrares_upper_atom_neighbors(...) from builtins.PyCapsule
intrares_upper_atom_neighbors(*args, **kwargs)
Overloaded function.
 
1. intrares_upper_atom_neighbors(self : rosetta.core.scoring.NeighborList, pos : int, atomno : int) -> rosetta.utility.vector1_core_scoring_AtomNeighbor
 
2. intrares_upper_atom_neighbors(self : rosetta.core.scoring.NeighborList, id : rosetta.core.id.AtomID) -> rosetta.utility.vector1_core_scoring_AtomNeighbor
set_auto_update(...) from builtins.PyCapsule
set_auto_update(self : rosetta.core.scoring.NeighborList, move_tolerance : float) -> NoneType
upper_atom_neighbors(...) from builtins.PyCapsule
upper_atom_neighbors(*args, **kwargs)
Overloaded function.
 
1. upper_atom_neighbors(self : rosetta.core.scoring.NeighborList, pos : int, atomno : int) -> rosetta.utility.vector1_core_scoring_AtomNeighbor
 
2. upper_atom_neighbors(self : rosetta.core.scoring.NeighborList, id : rosetta.core.id.AtomID) -> rosetta.utility.vector1_core_scoring_AtomNeighbor

 
class OmegaTether(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.OmegaTether) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.OmegaTether,  : rosetta.core.scoring.OmegaTether) -> rosetta.core.scoring.OmegaTether
eval_omega_score_all(...) from builtins.PyCapsule
eval_omega_score_all(self : rosetta.core.scoring.OmegaTether, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
eval_omega_score_residue(...) from builtins.PyCapsule
eval_omega_score_residue(*args, **kwargs)
Overloaded function.
 
1. eval_omega_score_residue(self : rosetta.core.scoring.OmegaTether, res_aa : rosetta.core.chemical.AA, omega : float, phi : float, psi : float) -> float
 
2. eval_omega_score_residue(self : rosetta.core.scoring.OmegaTether, res : rosetta.core.conformation.Residue, energy : float, denergy_domega : float, denergy_dphi : float, denergy_dpsi : float) -> NoneType
 
3. eval_omega_score_residue(self : rosetta.core.scoring.OmegaTether, res_aa : rosetta.core.chemical.AA, omega : float, phi : float, psi : float, energy : float, denergy_domega : float, denergy_dphi : float, denergy_dpsi : float) -> NoneType
omega_index(...) from builtins.PyCapsule
omega_index(self : rosetta.core.scoring.OmegaTether, rsd : rosetta.core.conformation.Residue) -> int
 
Returns the mainchain torsion index corresponding to "omega".
 
 
 Should be 3 for alpha amino acids, 4 for beta amino acids.
 
 
 Vikram K. Mulligan (vmullig.edu)
phi_index(...) from builtins.PyCapsule
phi_index(self : rosetta.core.scoring.OmegaTether, rsd : rosetta.core.conformation.Residue) -> int
 
Returns the mainchain torsion index corresponding to "phi".
 
 
 Generally 1.  Set to 2 for beta-amino acids so that derivatives are calculated
 for the dihedral two spaces before the peptide bond.
 
 
 Vikram K. Mulligan (vmullig.edu)
psi_index(...) from builtins.PyCapsule
psi_index(self : rosetta.core.scoring.OmegaTether, rsd : rosetta.core.conformation.Residue) -> int
 
Returns the mainchain torsion index corresponding to "psi".
 
 
 Generally 2 (alpha-amino acids) or 3 (beta-amino acids).
 
 
 Vikram K. Mulligan (vmullig.edu)

 
class OneToAllEnergyContainer(LREnergyContainer)
    ////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
OneToAllEnergyContainer
LREnergyContainer
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle, fixed_res_idx : int, size_in : int, score_type_in : rosetta.core.scoring.ScoreType) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
any_neighbors_for_residue(...) from builtins.PyCapsule
any_neighbors_for_residue(self : rosetta.core.scoring.OneToAllEnergyContainer,  : int) -> bool
any_upper_neighbors_for_residue(...) from builtins.PyCapsule
any_upper_neighbors_for_residue(self : rosetta.core.scoring.OneToAllEnergyContainer, resid : int) -> bool
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.OneToAllEnergyContainer,  : rosetta.core.scoring.OneToAllEnergyContainer) -> rosetta.core.scoring.OneToAllEnergyContainer
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.OneToAllEnergyContainer) -> rosetta.core.scoring.LREnergyContainer
const_neighbor_iterator_begin(...) from builtins.PyCapsule
const_neighbor_iterator_begin(self : rosetta.core.scoring.OneToAllEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
 
///////////////// const versions
const_neighbor_iterator_end(...) from builtins.PyCapsule
const_neighbor_iterator_end(self : rosetta.core.scoring.OneToAllEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
const_upper_neighbor_iterator_begin(...) from builtins.PyCapsule
const_upper_neighbor_iterator_begin(self : rosetta.core.scoring.OneToAllEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
const_upper_neighbor_iterator_end(...) from builtins.PyCapsule
const_upper_neighbor_iterator_end(self : rosetta.core.scoring.OneToAllEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
empty(...) from builtins.PyCapsule
empty(rosetta.core.scoring.OneToAllEnergyContainer) -> bool
fixed(...) from builtins.PyCapsule
fixed(rosetta.core.scoring.OneToAllEnergyContainer) -> int
neighbor_iterator_begin(...) from builtins.PyCapsule
neighbor_iterator_begin(self : rosetta.core.scoring.OneToAllEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
 
///////////////// non-const versions
neighbor_iterator_end(...) from builtins.PyCapsule
neighbor_iterator_end(self : rosetta.core.scoring.OneToAllEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
set_num_nodes(...) from builtins.PyCapsule
set_num_nodes(self : rosetta.core.scoring.OneToAllEnergyContainer, size_in : int) -> NoneType
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.OneToAllEnergyContainer) -> int
upper_neighbor_iterator_begin(...) from builtins.PyCapsule
upper_neighbor_iterator_begin(self : rosetta.core.scoring.OneToAllEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
upper_neighbor_iterator_end(...) from builtins.PyCapsule
upper_neighbor_iterator_end(self : rosetta.core.scoring.OneToAllEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator

 
class OneToAllNeighborConstIterator(ResidueNeighborConstIterator)
    ////////////////////////////////////////////////////
 
 
Method resolution order:
OneToAllNeighborConstIterator
ResidueNeighborConstIterator
builtins.object

Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(self : rosetta.core.scoring.OneToAllNeighborConstIterator, other : rosetta.core.scoring.ResidueNeighborConstIterator) -> bool
__init__(...) from builtins.PyCapsule
__init__(self : handle, pos1_in : int, pos2_in : int, operating_on_pos1_in : bool, st : rosetta.core.scoring.ScoreType, table_in : rosetta.utility.vector1_double, computed_in : rosetta.utility.vector1_bool) -> NoneType
__ne__(...) from builtins.PyCapsule
__ne__(self : rosetta.core.scoring.OneToAllNeighborConstIterator, other : rosetta.core.scoring.ResidueNeighborConstIterator) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
accumulate_energy(...) from builtins.PyCapsule
accumulate_energy(self : rosetta.core.scoring.OneToAllNeighborConstIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.OneToAllNeighborConstIterator, src : rosetta.core.scoring.ResidueNeighborConstIterator) -> rosetta.core.scoring.ResidueNeighborConstIterator
energy_computed(...) from builtins.PyCapsule
energy_computed(rosetta.core.scoring.OneToAllNeighborConstIterator) -> bool
lower_neighbor_id(...) from builtins.PyCapsule
lower_neighbor_id(rosetta.core.scoring.OneToAllNeighborConstIterator) -> int
neighbor_id(...) from builtins.PyCapsule
neighbor_id(rosetta.core.scoring.OneToAllNeighborConstIterator) -> int
plus_plus(...) from builtins.PyCapsule
plus_plus(rosetta.core.scoring.OneToAllNeighborConstIterator) -> rosetta.core.scoring.ResidueNeighborConstIterator
residue_iterated_on(...) from builtins.PyCapsule
residue_iterated_on(rosetta.core.scoring.OneToAllNeighborConstIterator) -> int
retrieve_energy(...) from builtins.PyCapsule
retrieve_energy(self : rosetta.core.scoring.OneToAllNeighborConstIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
upper_neighbor_id(...) from builtins.PyCapsule
upper_neighbor_id(rosetta.core.scoring.OneToAllNeighborConstIterator) -> int

 
class OneToAllNeighborIterator(ResidueNeighborIterator)
    ////////////////////////////////////////////////////
 
 
Method resolution order:
OneToAllNeighborIterator
ResidueNeighborIterator
builtins.object

Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(self : rosetta.core.scoring.OneToAllNeighborIterator, other : rosetta.core.scoring.ResidueNeighborIterator) -> bool
__init__(...) from builtins.PyCapsule
__init__(self : handle, pos1_in : int, pos2_in : int, operating_on_pos1_in : bool, st : rosetta.core.scoring.ScoreType, table_in : rosetta.utility.vector1_double, computed_in : rosetta.utility.vector1_bool) -> NoneType
__ne__(...) from builtins.PyCapsule
__ne__(self : rosetta.core.scoring.OneToAllNeighborIterator, other : rosetta.core.scoring.ResidueNeighborIterator) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
accumulate_energy(...) from builtins.PyCapsule
accumulate_energy(self : rosetta.core.scoring.OneToAllNeighborIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.OneToAllNeighborIterator, src : rosetta.core.scoring.ResidueNeighborIterator) -> rosetta.core.scoring.ResidueNeighborIterator
energy_computed(...) from builtins.PyCapsule
energy_computed(rosetta.core.scoring.OneToAllNeighborIterator) -> bool
lower_neighbor_id(...) from builtins.PyCapsule
lower_neighbor_id(rosetta.core.scoring.OneToAllNeighborIterator) -> int
mark_energy_computed(...) from builtins.PyCapsule
mark_energy_computed(rosetta.core.scoring.OneToAllNeighborIterator) -> NoneType
mark_energy_uncomputed(...) from builtins.PyCapsule
mark_energy_uncomputed(rosetta.core.scoring.OneToAllNeighborIterator) -> NoneType
neighbor_id(...) from builtins.PyCapsule
neighbor_id(rosetta.core.scoring.OneToAllNeighborIterator) -> int
plus_plus(...) from builtins.PyCapsule
plus_plus(rosetta.core.scoring.OneToAllNeighborIterator) -> rosetta.core.scoring.ResidueNeighborIterator
residue_iterated_on(...) from builtins.PyCapsule
residue_iterated_on(rosetta.core.scoring.OneToAllNeighborIterator) -> int
retrieve_energy(...) from builtins.PyCapsule
retrieve_energy(self : rosetta.core.scoring.OneToAllNeighborIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
save_energy(...) from builtins.PyCapsule
save_energy(self : rosetta.core.scoring.OneToAllNeighborIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
upper_neighbor_id(...) from builtins.PyCapsule
upper_neighbor_id(rosetta.core.scoring.OneToAllNeighborIterator) -> int

 
class PDatom(builtins.object)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.PDatom) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.PDatom,  : rosetta.core.scoring.PDatom) -> rosetta.core.scoring.PDatom
atom(...) from builtins.PyCapsule
atom(rosetta.core.scoring.PDatom) -> int
nonconst_atom(...) from builtins.PyCapsule
nonconst_atom(rosetta.core.scoring.PDatom) -> int
nonconst_rad(...) from builtins.PyCapsule
nonconst_rad(rosetta.core.scoring.PDatom) -> float
nonconst_rad2(...) from builtins.PyCapsule
nonconst_rad2(rosetta.core.scoring.PDatom) -> float
nonconst_res(...) from builtins.PyCapsule
nonconst_res(rosetta.core.scoring.PDatom) -> int
nonconst_xyz(...) from builtins.PyCapsule
nonconst_xyz(rosetta.core.scoring.PDatom) -> rosetta.numeric.xyzVector_double_t
rad(...) from builtins.PyCapsule
rad(rosetta.core.scoring.PDatom) -> float
rad2(...) from builtins.PyCapsule
rad2(rosetta.core.scoring.PDatom) -> float
res(...) from builtins.PyCapsule
res(rosetta.core.scoring.PDatom) -> int
vertices(...) from builtins.PyCapsule
vertices(rosetta.core.scoring.PDatom) -> rosetta.std.list_std_shared_ptr_core_scoring_PDvertex_std_allocator_std_shared_ptr_core_scoring_PDvertex_t
xyz(...) from builtins.PyCapsule
xyz(rosetta.core.scoring.PDatom) -> rosetta.numeric.xyzVector_double_t

 
class PDinter(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : rosetta.core.scoring.PDinter, xyz : rosetta.numeric.xyzVector_double_t, v1 : rosetta.core.scoring.PDvertex, v2 : rosetta.core.scoring.PDvertex) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_atom(...) from builtins.PyCapsule
add_atom(self : rosetta.core.scoring.PDinter, pa : rosetta.core.scoring.PDatom) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.PDinter,  : rosetta.core.scoring.PDinter) -> rosetta.core.scoring.PDinter
atoms(...) from builtins.PyCapsule
atoms(rosetta.core.scoring.PDinter) -> rosetta.utility.vector1_std_shared_ptr_const_core_scoring_PDatom_t
circle(...) from builtins.PyCapsule
circle(rosetta.core.scoring.PDinter) -> bool
vrt1(...) from builtins.PyCapsule
vrt1(rosetta.core.scoring.PDinter) -> rosetta.core.scoring.PDvertex
vrt2(...) from builtins.PyCapsule
vrt2(rosetta.core.scoring.PDinter) -> rosetta.core.scoring.PDvertex
xyz(...) from builtins.PyCapsule
xyz(rosetta.core.scoring.PDinter) -> rosetta.numeric.xyzVector_double_t

 
class PDvertex(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.PDvertex) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.PDvertex,  : rosetta.core.scoring.PDvertex) -> rosetta.core.scoring.PDvertex
direction(...) from builtins.PyCapsule
direction(rosetta.core.scoring.PDvertex) -> rosetta.numeric.xyzVector_double_t
finite(...) from builtins.PyCapsule
finite(rosetta.core.scoring.PDvertex) -> bool
generators(...) from builtins.PyCapsule
generators(rosetta.core.scoring.PDvertex) -> rosetta.utility.vector1_std_shared_ptr_core_scoring_PDatom_t
id(...) from builtins.PyCapsule
id(rosetta.core.scoring.PDvertex) -> int
live(...) from builtins.PyCapsule
live(rosetta.core.scoring.PDvertex) -> bool
nonconst_direction(...) from builtins.PyCapsule
nonconst_direction(rosetta.core.scoring.PDvertex) -> rosetta.numeric.xyzVector_double_t
nonconst_generators(...) from builtins.PyCapsule
nonconst_generators(rosetta.core.scoring.PDvertex) -> rosetta.utility.vector1_std_shared_ptr_core_scoring_PDatom_t
nonconst_id(...) from builtins.PyCapsule
nonconst_id(rosetta.core.scoring.PDvertex) -> int
nonconst_partners(...) from builtins.PyCapsule
nonconst_partners(rosetta.core.scoring.PDvertex) -> rosetta.utility.vector1_std_shared_ptr_core_scoring_PDvertex_t
nonconst_power(...) from builtins.PyCapsule
nonconst_power(rosetta.core.scoring.PDvertex) -> float
nonconst_xyz(...) from builtins.PyCapsule
nonconst_xyz(rosetta.core.scoring.PDvertex) -> rosetta.numeric.xyzVector_double_t
partners(...) from builtins.PyCapsule
partners(rosetta.core.scoring.PDvertex) -> rosetta.utility.vector1_std_shared_ptr_core_scoring_PDvertex_t
power(...) from builtins.PyCapsule
power(rosetta.core.scoring.PDvertex) -> float
set_finite(...) from builtins.PyCapsule
set_finite(self : rosetta.core.scoring.PDvertex, in_val : bool) -> NoneType
set_live(...) from builtins.PyCapsule
set_live(self : rosetta.core.scoring.PDvertex, in_val : bool) -> NoneType
xyz(...) from builtins.PyCapsule
xyz(rosetta.core.scoring.PDvertex) -> rosetta.numeric.xyzVector_double_t

 
class PQR(builtins.object)
    -------------------------------------------------------------------------------------
PQR
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : rosetta.core.scoring.PQR, pose : rosetta.core.pose.Pose, natoms : int, charged_residues : rosetta.std.map_std_string_bool) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.PQR,  : rosetta.core.scoring.PQR) -> rosetta.core.scoring.PQR
get_natoms(...) from builtins.PyCapsule
get_natoms(rosetta.core.scoring.PQR) -> int

Data descriptors defined here:
charge
natoms_
radius
x
y
z

 
class P_AA(builtins.object)
     Methods defined here:
P_AA_energy(...) from builtins.PyCapsule
P_AA_energy(self : rosetta.core.scoring.P_AA,  : rosetta.core.conformation.Residue) -> float
 
Probability energies for P(aa)
P_AA_pp_energy(...) from builtins.PyCapsule
P_AA_pp_energy(*args, **kwargs)
Overloaded function.
 
1. P_AA_pp_energy(self : rosetta.core.scoring.P_AA,  : rosetta.core.conformation.Residue) -> float
 
2. P_AA_pp_energy(self : rosetta.core.scoring.P_AA, aa : rosetta.core.chemical.AA, phi : float, psi : float) -> float
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.P_AA) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.P_AA,  : rosetta.core.scoring.P_AA) -> rosetta.core.scoring.P_AA
get_Paa_pp_deriv(...) from builtins.PyCapsule
get_Paa_pp_deriv(self : rosetta.core.scoring.P_AA, res : rosetta.core.conformation.Residue, tor_id : rosetta.core.id.TorsionID) -> float

 
class P_AA_ss(builtins.object)
     Methods defined here:
P_AA_ss_energy(...) from builtins.PyCapsule
P_AA_ss_energy(self : rosetta.core.scoring.P_AA_ss, aa : rosetta.core.chemical.AA, ss : str) -> float
 
Probability energies from P(aa|ss)
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.P_AA_ss) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.P_AA_ss,  : rosetta.core.scoring.P_AA_ss) -> rosetta.core.scoring.P_AA_ss
read_P_AA_ss(...) from builtins.PyCapsule
read_P_AA_ss(rosetta.core.scoring.P_AA_ss) -> NoneType
 
Read the ss-dep amino acid probability file into P_AA_ss

 
class PairEPotential(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.PairEPotential) -> NoneType
 
2. __init__(self : rosetta.core.scoring.PairEPotential,  : rosetta.core.scoring.PairEPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.PairEPotential,  : rosetta.core.scoring.PairEPotential) -> rosetta.core.scoring.PairEPotential
pair_term_energy(...) from builtins.PyCapsule
pair_term_energy(self : rosetta.core.scoring.PairEPotential, res1 : rosetta.core.conformation.Residue, res1_num_10A_neighbors : int, res2 : rosetta.core.conformation.Residue, res2_num_10A_neighbors : int) -> float
pair_term_energy_and_deriv(...) from builtins.PyCapsule
pair_term_energy_and_deriv(self : rosetta.core.scoring.PairEPotential, res1 : rosetta.core.conformation.Residue, res1_num_10A_neighbors : int, res2 : rosetta.core.conformation.Residue, res2_num_10A_neighbors : int, dpairE_dr : float) -> float
pair_term_energy_exists(...) from builtins.PyCapsule
pair_term_energy_exists(self : rosetta.core.scoring.PairEPotential, rsd : rosetta.core.conformation.Residue) -> bool
range(...) from builtins.PyCapsule
range(rosetta.core.scoring.PairEPotential) -> float

 
class PoissonBoltzmannPotential(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.PoissonBoltzmannPotential) -> NoneType
 
2. __init__(self : rosetta.core.scoring.PoissonBoltzmannPotential,  : rosetta.core.scoring.PoissonBoltzmannPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.PoissonBoltzmannPotential,  : rosetta.core.scoring.PoissonBoltzmannPotential) -> rosetta.core.scoring.PoissonBoltzmannPotential
cart2idx(...) from builtins.PyCapsule
cart2idx(self : rosetta.core.scoring.PoissonBoltzmannPotential, cartX : rosetta.numeric.xyzVector_double_t, idxX : rosetta.numeric.xyzVector_double_t) -> NoneType
 
///////////////////////////////
///////////////////////////////
eval_PB_energy_residue(...) from builtins.PyCapsule
eval_PB_energy_residue(self : rosetta.core.scoring.PoissonBoltzmannPotential, rsd : rosetta.core.conformation.Residue, PB_energy_residue : float, PB_energy_backbone : float, PB_energy_sidechain : float, PB_burial_weight : float) -> NoneType
get_potential(...) from builtins.PyCapsule
get_potential(self : rosetta.core.scoring.PoissonBoltzmannPotential, potential : ObjexxFCL::FArray3D<double>, cartX : rosetta.numeric.xyzVector_double_t) -> float
lower_bound(...) from builtins.PyCapsule
lower_bound(rosetta.core.scoring.PoissonBoltzmannPotential) -> rosetta.numeric.xyzVector_double_t
out_of_bounds(...) from builtins.PyCapsule
out_of_bounds(self : rosetta.core.scoring.PoissonBoltzmannPotential, cartX : rosetta.numeric.xyzVector_double_t) -> bool
solve_pb(...) from builtins.PyCapsule
solve_pb(self : rosetta.core.scoring.PoissonBoltzmannPotential, pose : rosetta.core.pose.Pose, state_tag : str, is_residue_charged_by_name : rosetta.std.map_std_string_bool) -> NoneType
 
Execute ABPS to freshly compute the electrotatic field.
 
 
  The pose
 
 
 Arbitrary string for generating APBS files.  e.g. The current energy state.
 
 
 Which residues are charged?  The key is the residue name.
upper_bound(...) from builtins.PyCapsule
upper_bound(rosetta.core.scoring.PoissonBoltzmannPotential) -> rosetta.numeric.xyzVector_double_t

 
class PolymerBondedEnergyContainer(LREnergyContainer)
    ////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
PolymerBondedEnergyContainer
LREnergyContainer
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle, pose : rosetta.core.pose.Pose, score_type_in : rosetta.utility.vector1_core_scoring_ScoreType) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
any_neighbors_for_residue(...) from builtins.PyCapsule
any_neighbors_for_residue(self : rosetta.core.scoring.PolymerBondedEnergyContainer,  : int) -> bool
any_upper_neighbors_for_residue(...) from builtins.PyCapsule
any_upper_neighbors_for_residue(self : rosetta.core.scoring.PolymerBondedEnergyContainer,  : int) -> bool
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.PolymerBondedEnergyContainer,  : rosetta.core.scoring.PolymerBondedEnergyContainer) -> rosetta.core.scoring.PolymerBondedEnergyContainer
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.PolymerBondedEnergyContainer) -> rosetta.core.scoring.LREnergyContainer
const_neighbor_iterator_begin(...) from builtins.PyCapsule
const_neighbor_iterator_begin(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
const_neighbor_iterator_end(...) from builtins.PyCapsule
const_neighbor_iterator_end(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
const_upper_neighbor_iterator_begin(...) from builtins.PyCapsule
const_upper_neighbor_iterator_begin(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
const_upper_neighbor_iterator_end(...) from builtins.PyCapsule
const_upper_neighbor_iterator_end(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborConstIterator
empty(...) from builtins.PyCapsule
empty(rosetta.core.scoring.PolymerBondedEnergyContainer) -> bool
get_computed(...) from builtins.PyCapsule
get_computed(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resnum : int) -> bool
get_energy(...) from builtins.PyCapsule
get_energy(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resnum : int, scoreterm : int) -> float
is_valid(...) from builtins.PyCapsule
is_valid(self : rosetta.core.scoring.PolymerBondedEnergyContainer, pose : rosetta.core.pose.Pose) -> bool
 
Is this PolymerBondedEnergyContainer properly set up for the pose?
 
 
 Vikram K. Mulligan (vmullig.edu).
neighbor_iterator_begin(...) from builtins.PyCapsule
neighbor_iterator_begin(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
 
///////////////// non-const versions
neighbor_iterator_end(...) from builtins.PyCapsule
neighbor_iterator_end(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
score_types(...) from builtins.PyCapsule
score_types(rosetta.core.scoring.PolymerBondedEnergyContainer) -> rosetta.utility.vector1_core_scoring_ScoreType
set_computed(...) from builtins.PyCapsule
set_computed(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resnum : int, val : bool) -> NoneType
set_energy(...) from builtins.PyCapsule
set_energy(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resnum : int, scoreterm : int, E : float) -> NoneType
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.PolymerBondedEnergyContainer) -> int
upper_neighbor_iterator_begin(...) from builtins.PyCapsule
upper_neighbor_iterator_begin(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator
upper_neighbor_iterator_end(...) from builtins.PyCapsule
upper_neighbor_iterator_end(self : rosetta.core.scoring.PolymerBondedEnergyContainer, resid : int) -> rosetta.core.scoring.ResidueNeighborIterator

Methods inherited from LREnergyContainer:
set_num_nodes(...) from builtins.PyCapsule
set_num_nodes(self : rosetta.core.scoring.LREnergyContainer,  : int) -> NoneType

 
class PolymerBondedNeighborConstIterator(ResidueNeighborConstIterator)
    ////////////////////////////////////////////////////
 
 
Method resolution order:
PolymerBondedNeighborConstIterator
ResidueNeighborConstIterator
builtins.object

Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(self : rosetta.core.scoring.PolymerBondedNeighborConstIterator, other : rosetta.core.scoring.ResidueNeighborConstIterator) -> bool
__init__(...) from builtins.PyCapsule
__init__(self : handle, base_in : int, positions_in : rosetta.utility.vector1_unsigned_long, parent : core::scoring::PolymerBondedEnergyContainer) -> NoneType
__ne__(...) from builtins.PyCapsule
__ne__(self : rosetta.core.scoring.PolymerBondedNeighborConstIterator, other : rosetta.core.scoring.ResidueNeighborConstIterator) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
accumulate_energy(...) from builtins.PyCapsule
accumulate_energy(self : rosetta.core.scoring.PolymerBondedNeighborConstIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.PolymerBondedNeighborConstIterator, src : rosetta.core.scoring.ResidueNeighborConstIterator) -> rosetta.core.scoring.ResidueNeighborConstIterator
energy_computed(...) from builtins.PyCapsule
energy_computed(rosetta.core.scoring.PolymerBondedNeighborConstIterator) -> bool
lower_neighbor_id(...) from builtins.PyCapsule
lower_neighbor_id(rosetta.core.scoring.PolymerBondedNeighborConstIterator) -> int
neighbor_id(...) from builtins.PyCapsule
neighbor_id(rosetta.core.scoring.PolymerBondedNeighborConstIterator) -> int
plus_plus(...) from builtins.PyCapsule
plus_plus(rosetta.core.scoring.PolymerBondedNeighborConstIterator) -> rosetta.core.scoring.ResidueNeighborConstIterator
residue_iterated_on(...) from builtins.PyCapsule
residue_iterated_on(rosetta.core.scoring.PolymerBondedNeighborConstIterator) -> int
retrieve_energy(...) from builtins.PyCapsule
retrieve_energy(self : rosetta.core.scoring.PolymerBondedNeighborConstIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
upper_neighbor_id(...) from builtins.PyCapsule
upper_neighbor_id(rosetta.core.scoring.PolymerBondedNeighborConstIterator) -> int

 
class PolymerBondedNeighborIterator(ResidueNeighborIterator)
    ////////////////////////////////////////////////////
 
 
Method resolution order:
PolymerBondedNeighborIterator
ResidueNeighborIterator
builtins.object

Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(self : rosetta.core.scoring.PolymerBondedNeighborIterator, other : rosetta.core.scoring.ResidueNeighborIterator) -> bool
__init__(...) from builtins.PyCapsule
__init__(self : handle, base_in : int, positions_in : rosetta.utility.vector1_unsigned_long, parent : core::scoring::PolymerBondedEnergyContainer) -> NoneType
__ne__(...) from builtins.PyCapsule
__ne__(self : rosetta.core.scoring.PolymerBondedNeighborIterator, other : rosetta.core.scoring.ResidueNeighborIterator) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
accumulate_energy(...) from builtins.PyCapsule
accumulate_energy(self : rosetta.core.scoring.PolymerBondedNeighborIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.PolymerBondedNeighborIterator, src : rosetta.core.scoring.ResidueNeighborIterator) -> rosetta.core.scoring.ResidueNeighborIterator
energy_computed(...) from builtins.PyCapsule
energy_computed(rosetta.core.scoring.PolymerBondedNeighborIterator) -> bool
lower_neighbor_id(...) from builtins.PyCapsule
lower_neighbor_id(rosetta.core.scoring.PolymerBondedNeighborIterator) -> int
mark_energy_computed(...) from builtins.PyCapsule
mark_energy_computed(rosetta.core.scoring.PolymerBondedNeighborIterator) -> NoneType
mark_energy_uncomputed(...) from builtins.PyCapsule
mark_energy_uncomputed(rosetta.core.scoring.PolymerBondedNeighborIterator) -> NoneType
neighbor_id(...) from builtins.PyCapsule
neighbor_id(rosetta.core.scoring.PolymerBondedNeighborIterator) -> int
plus_plus(...) from builtins.PyCapsule
plus_plus(rosetta.core.scoring.PolymerBondedNeighborIterator) -> rosetta.core.scoring.ResidueNeighborIterator
residue_iterated_on(...) from builtins.PyCapsule
residue_iterated_on(rosetta.core.scoring.PolymerBondedNeighborIterator) -> int
retrieve_energy(...) from builtins.PyCapsule
retrieve_energy(self : rosetta.core.scoring.PolymerBondedNeighborIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
save_energy(...) from builtins.PyCapsule
save_energy(self : rosetta.core.scoring.PolymerBondedNeighborIterator, emap : rosetta.core.scoring.EMapVector) -> NoneType
upper_neighbor_id(...) from builtins.PyCapsule
upper_neighbor_id(rosetta.core.scoring.PolymerBondedNeighborIterator) -> int

 
class Predicate(builtins.object)
    //////////////////////////////////////////
 
  Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.core.scoring.Predicate, pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.Predicate) -> NoneType
 
2. __init__(rosetta.core.scoring.Predicate, rosetta.core.scoring.Predicate) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.Predicate,  : rosetta.core.scoring.Predicate) -> rosetta.core.scoring.Predicate

 
class ProQPotential(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.ProQPotential) -> NoneType
 
2. __init__(self : rosetta.core.scoring.ProQPotential,  : rosetta.core.scoring.ProQPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ProQPotential,  : rosetta.core.scoring.ProQPotential) -> rosetta.core.scoring.ProQPotential
num_features_proq2(...) from builtins.PyCapsule
num_features_proq2(rosetta.core.scoring.ProQPotential) -> int
num_features_proqm(...) from builtins.PyCapsule
num_features_proqm(rosetta.core.scoring.ProQPotential) -> int
score(...) from builtins.PyCapsule
score(*args, **kwargs)
Overloaded function.
 
1. score(self : rosetta.core.scoring.ProQPotential, pose : rosetta.core.pose.Pose, feature_vector : ObjexxFCL::FArray2D<double>, score : ObjexxFCL::FArray1D<double>) -> NoneType
 
2. score(self : rosetta.core.scoring.ProQPotential, pose : rosetta.core.pose.Pose, feature_vector : ObjexxFCL::FArray2D<double>, score : ObjexxFCL::FArray1D<double>, ProQ2 : bool) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.ProQPotential, pose : rosetta.core.pose.Pose) -> NoneType

 
class ProteinTorsion(builtins.object)
     Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(rosetta.core.scoring.ProteinTorsion, rosetta.core.scoring.ProteinTorsion) -> bool
__hash__(...) from builtins.PyCapsule
__hash__(rosetta.core.scoring.ProteinTorsion) -> int
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.ProteinTorsion, int) -> NoneType
 
2. __init__(rosetta.core.scoring.ProteinTorsion, int) -> NoneType
__int__(...) from builtins.PyCapsule
__int__(rosetta.core.scoring.ProteinTorsion) -> int
__ne__(...) from builtins.PyCapsule
__ne__(rosetta.core.scoring.ProteinTorsion, rosetta.core.scoring.ProteinTorsion) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__repr__(...) from builtins.PyCapsule
__repr__(rosetta.core.scoring.ProteinTorsion) -> str

Data and other attributes defined here:
CHI1 = ProteinTorsion.CHI1
CHI2 = ProteinTorsion.CHI2
CHI3 = ProteinTorsion.CHI3
CHI4 = ProteinTorsion.CHI4
OMEGA = ProteinTorsion.OMEGA
PHI = ProteinTorsion.PHI
PSI = ProteinTorsion.PSI
protein_torsion_end = ProteinTorsion.protein_torsion_end

 
class RDC(builtins.object)
    //////////////////////////////////////////////
 
  Methods defined here:
Dconst(...) from builtins.PyCapsule
Dconst(rosetta.core.scoring.RDC) -> float
Jcomputed(...) from builtins.PyCapsule
Jcomputed(*args, **kwargs)
Overloaded function.
 
1. Jcomputed(rosetta.core.scoring.RDC) -> float
 
2. Jcomputed(rosetta.core.scoring.RDC) -> float
Jdipolar(...) from builtins.PyCapsule
Jdipolar(rosetta.core.scoring.RDC) -> float
Reduced_Jdipolar(...) from builtins.PyCapsule
Reduced_Jdipolar(rosetta.core.scoring.RDC) -> float
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.RDC) -> NoneType
 
2. __init__(rosetta.core.scoring.RDC, int, str, int, str, float) -> NoneType
 
doc
 
3. __init__(rosetta.core.scoring.RDC, int, str, int, str, float, float) -> NoneType
 
doc
 
4. __init__(self : rosetta.core.scoring.RDC, res1 : int, atom1 : str, res2 : int, atom2 : str, Jdipolar : float, weight : float, expid : int) -> NoneType
 
5. __init__(self : rosetta.core.scoring.RDC,  : rosetta.core.scoring.RDC) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.RDC) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.RDC,  : rosetta.core.scoring.RDC) -> rosetta.core.scoring.RDC
atom1(...) from builtins.PyCapsule
atom1(rosetta.core.scoring.RDC) -> str
atom2(...) from builtins.PyCapsule
atom2(rosetta.core.scoring.RDC) -> str
expid(...) from builtins.PyCapsule
expid(rosetta.core.scoring.RDC) -> int
fij(...) from builtins.PyCapsule
fij(rosetta.core.scoring.RDC) -> rosetta.numeric.xyzVector_double_t
fixed_dist(...) from builtins.PyCapsule
fixed_dist(rosetta.core.scoring.RDC) -> float
get_RDC_data_type(...) from builtins.PyCapsule
get_RDC_data_type(self : rosetta.core.scoring.RDC, atom1 : str, atom2 : str) -> rosetta.core.scoring.RDC_TYPE
 
which type of RDC pairing are we dealing with ?
res1(...) from builtins.PyCapsule
res1(rosetta.core.scoring.RDC) -> int
res2(...) from builtins.PyCapsule
res2(rosetta.core.scoring.RDC) -> int
type(...) from builtins.PyCapsule
type(rosetta.core.scoring.RDC) -> rosetta.core.scoring.RDC_TYPE
weight(...) from builtins.PyCapsule
weight(*args, **kwargs)
Overloaded function.
 
1. weight(rosetta.core.scoring.RDC) -> float
 
2. weight(self : rosetta.core.scoring.RDC, w_in : float) -> NoneType

Data descriptors defined here:
Jdipolar_computed_
fij_

Data and other attributes defined here:
RDC_TYPE = <class 'rosetta.core.scoring.RDC.RDC_TYPE'>
RDC_TYPE_CC = RDC_TYPE.RDC_TYPE_CC
RDC_TYPE_CH = RDC_TYPE.RDC_TYPE_CH
RDC_TYPE_CHN = RDC_TYPE.RDC_TYPE_CHN
RDC_TYPE_NC = RDC_TYPE.RDC_TYPE_NC
RDC_TYPE_NCA = RDC_TYPE.RDC_TYPE_NCA
RDC_TYPE_NH = RDC_TYPE.RDC_TYPE_NH

 
class RDC_Rohl(builtins.object)
    //////////////////////////////////////////////
 
  Methods defined here:
Jdipolar(...) from builtins.PyCapsule
Jdipolar(rosetta.core.scoring.RDC_Rohl) -> float
Reduced_Jdipolar(...) from builtins.PyCapsule
Reduced_Jdipolar(rosetta.core.scoring.RDC_Rohl) -> float
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.RDC_Rohl) -> NoneType
 
2. __init__(rosetta.core.scoring.RDC_Rohl, int, int, float) -> NoneType
 
doc
 
3. __init__(self : rosetta.core.scoring.RDC_Rohl, type : int, res : int, Jdipolar : float, weight : float) -> NoneType
 
4. __init__(self : rosetta.core.scoring.RDC_Rohl,  : rosetta.core.scoring.RDC_Rohl) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
fixed_dist(...) from builtins.PyCapsule
fixed_dist(rosetta.core.scoring.RDC_Rohl) -> float
invDcnst(...) from builtins.PyCapsule
invDcnst(rosetta.core.scoring.RDC_Rohl) -> float
res(...) from builtins.PyCapsule
res(rosetta.core.scoring.RDC_Rohl) -> int
type(...) from builtins.PyCapsule
type(rosetta.core.scoring.RDC_Rohl) -> int
weight(...) from builtins.PyCapsule
weight(*args, **kwargs)
Overloaded function.
 
1. weight(rosetta.core.scoring.RDC_Rohl) -> float
 
2. weight(self : rosetta.core.scoring.RDC_Rohl, w_in : float) -> NoneType

 
class RamaPrePro(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.RamaPrePro) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.RamaPrePro,  : rosetta.core.scoring.RamaPrePro) -> rosetta.core.scoring.RamaPrePro
eval_rpp_rama_score(...) from builtins.PyCapsule
eval_rpp_rama_score(self : rosetta.core.scoring.RamaPrePro, res_aa1 : rosetta.core.chemical.AA, res_aa2 : rosetta.core.chemical.AA, phi : float, psi : float, score_rama : float, denergy_dphi : float, denergy_dpsi : float) -> NoneType

 
class Rama_Table_Type(builtins.object)
     Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(rosetta.core.scoring.Rama_Table_Type, rosetta.core.scoring.Rama_Table_Type) -> bool
__hash__(...) from builtins.PyCapsule
__hash__(rosetta.core.scoring.Rama_Table_Type) -> int
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.Rama_Table_Type, int) -> NoneType
 
2. __init__(rosetta.core.scoring.Rama_Table_Type, int) -> NoneType
__int__(...) from builtins.PyCapsule
__int__(rosetta.core.scoring.Rama_Table_Type) -> int
__ne__(...) from builtins.PyCapsule
__ne__(rosetta.core.scoring.Rama_Table_Type, rosetta.core.scoring.Rama_Table_Type) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__repr__(...) from builtins.PyCapsule
__repr__(rosetta.core.scoring.Rama_Table_Type) -> str

Data and other attributes defined here:
end_of_ramatable_type_list = Rama_Table_Type.end_of_ramatable_type_list
flat_d_aa_ramatable = Rama_Table_Type.flat_d_aa_ramatable
flat_d_aa_ramatable_stringent = Rama_Table_Type.flat_d_aa_ramatable_stringent
flat_l_aa_ramatable = Rama_Table_Type.flat_l_aa_ramatable
flat_l_aa_ramatable_stringent = Rama_Table_Type.flat_l_aa_ramatable_stringent
flat_symm_dl_aa_ramatable = Rama_Table_Type.flat_symm_dl_aa_ramatable
flat_symm_dl_aa_ramatable_stringent = Rama_Table_Type.flat_symm_dl_aa_ramatable_stringent
flat_symm_gly_ramatable = Rama_Table_Type.flat_symm_gly_ramatable
flat_symm_gly_ramatable_stringent = Rama_Table_Type.flat_symm_gly_ramatable_stringent
flat_symm_pro_ramatable = Rama_Table_Type.flat_symm_pro_ramatable
flat_symm_pro_ramatable_stringent = Rama_Table_Type.flat_symm_pro_ramatable_stringent
unknown_ramatable_type = Rama_Table_Type.end_of_ramatable_type_list

 
class Ramachandran(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.Ramachandran) -> NoneType
 
2. __init__(self : rosetta.core.scoring.Ramachandran, rama_map_filename : str, use_bicubic_interpolation : bool) -> NoneType
 
3. __init__(self : rosetta.core.scoring.Ramachandran,  : rosetta.core.scoring.Ramachandran) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.Ramachandran,  : rosetta.core.scoring.Ramachandran) -> rosetta.core.scoring.Ramachandran
cdf_for_aa(...) from builtins.PyCapsule
cdf_for_aa(self : rosetta.core.scoring.Ramachandran, aa : rosetta.core.chemical.AA) -> rosetta.utility.vector1_double
cdf_for_aa_for_torsion_bin(...) from builtins.PyCapsule
cdf_for_aa_for_torsion_bin(self : rosetta.core.scoring.Ramachandran, aa : rosetta.core.chemical.AA,  : rosetta.core.conformation.ppo_torsion_bin) -> rosetta.utility.vector1_double
draw_random_phi_psi_from_extra_cdf(...) from builtins.PyCapsule
draw_random_phi_psi_from_extra_cdf(self : rosetta.core.scoring.Ramachandran, type : rosetta.core.scoring.Rama_Table_Type, phi : float, psi : float) -> NoneType
 
Pick a random phi, psi value from a custom Rama table.
 
 
 The custom Rama table is lazily loaded, so this function
 is necessarily non-const.  By default, only the 20 canonical Rama
 tables are loaded.
 
 
 The type of custom rama table (an enum value).
 
 
 Randomly-drawn phi value, biased by the custom rama
 table.
 
 
 Randomly-drawn psi value, biased by the custom rama
 table.
 
 
 Vikram K. Mulligan (vmullig.edu).
eval_rama_score_all(...) from builtins.PyCapsule
eval_rama_score_all(self : rosetta.core.scoring.Ramachandran, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
 
////////////////////////////
eval_rama_score_residue(...) from builtins.PyCapsule
eval_rama_score_residue(*args, **kwargs)
Overloaded function.
 
1. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran, res : rosetta.core.conformation.Residue) -> float
 
2. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran, res_aa : rosetta.core.chemical.AA, phi : float, psi : float) -> float
 
3. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran, res : rosetta.core.conformation.Residue, rama : float, drama_dphi : float, drama_dpsi : float) -> NoneType
 
4. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran, res_aa : rosetta.core.chemical.AA, phi : float, psi : float, rama : float, drama_dphi : float, drama_dpsi : float) -> NoneType
 
5. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran, use_bicubic_interpolation : bool, rama_not_squared : bool, res_aa : rosetta.core.chemical.AA, phi : float, psi : float, rama : float, drama_dphi : float, drama_dpsi : float) -> NoneType
eval_rama_score_residue_nonstandard_connection(...) from builtins.PyCapsule
eval_rama_score_residue_nonstandard_connection(self : rosetta.core.scoring.Ramachandran, mypose : rosetta.core.pose.Pose, res : rosetta.core.conformation.Residue, rama : float, drama_dphi : float, drama_dpsi : float) -> NoneType
 
Function to evaluate the rama score for residues whose connection partners are not necessarily adjacent
 in linear sequence (e.g. for backbone-cyclized peptides).  Note that this assumes that rama is being used only
 for scoring alpha-amino acids (L- or D-).
 
 
 Vikram K. Mulligan
get_custom_rama_table_filename(...) from builtins.PyCapsule
get_custom_rama_table_filename(self : rosetta.core.scoring.Ramachandran, type : rosetta.core.scoring.Rama_Table_Type) -> str
 
Given a custom Rama table type, get the filename of the database file containing
 the data.
 
 
 Accesses the options system for this information.
 
 
 Vikram K. Mulligan (vmullig.edu)
get_l_equivalent(...) from builtins.PyCapsule
get_l_equivalent(self : rosetta.core.scoring.Ramachandran, d_aa : rosetta.core.chemical.AA) -> rosetta.core.chemical.AA
get_ramatable_name_by_type(...) from builtins.PyCapsule
get_ramatable_name_by_type(self : rosetta.core.scoring.Ramachandran, type : rosetta.core.scoring.Rama_Table_Type) -> str
 
Given a Rama_Table_Type, return the name.
 
 
 Vikram K. Mulligan (vmullig.edu)
get_ramatable_type_by_name(...) from builtins.PyCapsule
get_ramatable_type_by_name(self : rosetta.core.scoring.Ramachandran, name : str) -> rosetta.core.scoring.Rama_Table_Type
 
Given a Rama_Table_Type name, return the type.
 
 
 Calls get_rama_table_name_by_type().
 
 
 Vikram K. Mulligan (vmullig.edu)
is_canonical_d_aminoacid(...) from builtins.PyCapsule
is_canonical_d_aminoacid(self : rosetta.core.scoring.Ramachandran, res_aa : rosetta.core.chemical.AA) -> bool
is_normally_connected(...) from builtins.PyCapsule
is_normally_connected(self : rosetta.core.scoring.Ramachandran, res : rosetta.core.conformation.Residue) -> bool
 
Function to do a quick check that the upper connection is seqpos+1 and the lower connection is seqpos-1.  Returns true if this is so, false otherwise.
 
 
 Vikram K. Mulligan
minimum_sampling_probability(...) from builtins.PyCapsule
minimum_sampling_probability(rosetta.core.scoring.Ramachandran) -> float
n_phi_bins(...) from builtins.PyCapsule
n_phi_bins(rosetta.core.scoring.Ramachandran) -> int
n_psi_bins(...) from builtins.PyCapsule
n_psi_bins(rosetta.core.scoring.Ramachandran) -> int
phipsi_in_allowed_rama(...) from builtins.PyCapsule
phipsi_in_allowed_rama(self : rosetta.core.scoring.Ramachandran, res_aa : rosetta.core.chemical.AA, phi : float, psi : float) -> bool
 
Return true if the given phi/psi pair is in the allowed space
 sampled by uniform_phipsi_from_allowed_rama.
phipsi_in_forbidden_rama(...) from builtins.PyCapsule
phipsi_in_forbidden_rama(self : rosetta.core.scoring.Ramachandran, res_aa : rosetta.core.chemical.AA, phi : float, psi : float) -> bool
 
Return false if the given phi/psi pair is in the allowed space
 sampled by uniform_phipsi_from_allowed_rama.
rama_power(...) from builtins.PyCapsule
rama_power(rosetta.core.scoring.Ramachandran) -> float
 
Get rama_power value.
 
 
 If used, rama values over 0 are raised to the Nth power.  Unused by default.
 
 
 Vikram K. Mulligan (vmullig.edu) and Brian Koepnick.
rama_probability(...) from builtins.PyCapsule
rama_probability(self : rosetta.core.scoring.Ramachandran, aa : rosetta.core.chemical.AA, phi : float, psi : float) -> float
random_phipsi_from_rama(...) from builtins.PyCapsule
random_phipsi_from_rama(self : rosetta.core.scoring.Ramachandran, res_aa : rosetta.core.chemical.AA, phi : float, psi : float) -> NoneType
 
Generate random values for phi and psi, biased by the Ramachandran plot of a particular amino acid.
 
 
 The amino acid in question.
 
 
 Output phi value.
 
 
 Output psi value.
random_phipsi_from_rama_by_torsion_bin(...) from builtins.PyCapsule
random_phipsi_from_rama_by_torsion_bin(self : rosetta.core.scoring.Ramachandran, res_aa : rosetta.core.chemical.AA, phi : float, psi : float, torsion_bin : rosetta.core.conformation.ppo_torsion_bin) -> NoneType
 
functions for torsion-bin specific but otherwise random phi/psi angles
 
 
 Amelie Stein
set_rama_power(...) from builtins.PyCapsule
set_rama_power(self : rosetta.core.scoring.Ramachandran, setting : float) -> NoneType
 
Set rama_power value.
 
 
 If used, rama values over 0 are raised to the Nth power.  Unused by default.
 
 
 Vikram K. Mulligan (vmullig.edu) and Brian Koepnick.
set_use_rama_power(...) from builtins.PyCapsule
set_use_rama_power(self : rosetta.core.scoring.Ramachandran, setting : bool) -> NoneType
 
Set whether we're using the rama_power option, which scales rama values over 0.
 
 
 Vikram K. Mulligan (vmullig.edu) and Brian Koepnick.
uniform_phipsi_from_allowed_rama(...) from builtins.PyCapsule
uniform_phipsi_from_allowed_rama(self : rosetta.core.scoring.Ramachandran, res_aa : rosetta.core.chemical.AA, phi : float, psi : float) -> NoneType
 
Return a phi/psi pair picked uniformly from the regions of rama
 space with nonzero weight.  Sampling with this method will not give a
 rama distribution; it will give a flat distribution in only the allowed
 regions of rama space.
use_rama_power(...) from builtins.PyCapsule
use_rama_power(rosetta.core.scoring.Ramachandran) -> bool
 
Get whether we're using the rama_power option, which scales rama values over 0.
 
 
 Vikram K. Mulligan (vmullig.edu) and Brian Koepnick.
write_rama_score_all(...) from builtins.PyCapsule
write_rama_score_all(self : rosetta.core.scoring.Ramachandran, pose : rosetta.core.pose.Pose) -> NoneType

 
class Ramachandran2B(builtins.object)
     Methods defined here:
IdealizeRamaEnergy(...) from builtins.PyCapsule
IdealizeRamaEnergy(self : rosetta.core.scoring.Ramachandran2B, phi : float, psi : float, rama : float, drama_dphi : float, drama_dpsi : float, entropy : float, rama_for_res : ObjexxFCL::FArray2A<double>) -> NoneType
RamaE(...) from builtins.PyCapsule
RamaE(*args, **kwargs)
Overloaded function.
 
1. RamaE(self : rosetta.core.scoring.Ramachandran2B, rsd : rosetta.core.conformation.Residue) -> float
 
2. RamaE(self : rosetta.core.scoring.Ramachandran2B, rsd : rosetta.core.conformation.Residue, drama_dphi : float, drama_dpsi : float) -> float
 
3. RamaE(self : rosetta.core.scoring.Ramachandran2B, phi : float, psi : float, rsd : rosetta.core.chemical.AA, drama_dphi : float, drama_dpsi : float) -> float
RamaE_Lower(...) from builtins.PyCapsule
RamaE_Lower(*args, **kwargs)
Overloaded function.
 
1. RamaE_Lower(self : rosetta.core.scoring.Ramachandran2B, rsd : rosetta.core.conformation.Residue, neighbor : rosetta.core.chemical.AA) -> float
 
2. RamaE_Lower(self : rosetta.core.scoring.Ramachandran2B, rsd : rosetta.core.conformation.Residue, neighbor : rosetta.core.chemical.AA, drama_dphi : float, drama_dpsi : float) -> float
 
3. RamaE_Lower(self : rosetta.core.scoring.Ramachandran2B, phi : float, psi : float, rsd : rosetta.core.chemical.AA, neighbor : rosetta.core.chemical.AA) -> float
 
4. RamaE_Lower(self : rosetta.core.scoring.Ramachandran2B, phi : float, psi : float, rsd : rosetta.core.chemical.AA, neighbor : rosetta.core.chemical.AA, drama_dphi : float, drama_dpsi : float) -> float
RamaE_Upper(...) from builtins.PyCapsule
RamaE_Upper(*args, **kwargs)
Overloaded function.
 
1. RamaE_Upper(self : rosetta.core.scoring.Ramachandran2B, rsd : rosetta.core.conformation.Residue, neighbor : rosetta.core.chemical.AA) -> float
 
2. RamaE_Upper(self : rosetta.core.scoring.Ramachandran2B, rsd : rosetta.core.conformation.Residue, neighbor : rosetta.core.chemical.AA, drama_dphi : float, drama_dpsi : float) -> float
 
3. RamaE_Upper(self : rosetta.core.scoring.Ramachandran2B, phi : float, psi : float, rsd : rosetta.core.chemical.AA, neighbor : rosetta.core.chemical.AA) -> float
 
4. RamaE_Upper(self : rosetta.core.scoring.Ramachandran2B, phi : float, psi : float, rsd : rosetta.core.chemical.AA, neighbor : rosetta.core.chemical.AA, drama_dphi : float, drama_dpsi : float) -> float
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.Ramachandran2B) -> NoneType
 
2. __init__(self : rosetta.core.scoring.Ramachandran2B,  : rosetta.core.scoring.Ramachandran2B) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
eval_rama_score_all(...) from builtins.PyCapsule
eval_rama_score_all(self : rosetta.core.scoring.Ramachandran2B, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
 
////////////////////////////
eval_rama_score_residue(...) from builtins.PyCapsule
eval_rama_score_residue(*args, **kwargs)
Overloaded function.
 
1. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran2B, res_aa : rosetta.core.chemical.AA, phi : float, psi : float) -> float
 
2. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran2B, res : rosetta.core.conformation.Residue, left_aa : rosetta.core.chemical.AA, right_aa : rosetta.core.chemical.AA, rama : float, drama_dphi : float, drama_dpsi : float) -> NoneType
 
3. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran2B, phi : float, psi : float, res : rosetta.core.chemical.AA, left_aa : rosetta.core.chemical.AA, right_aa : rosetta.core.chemical.AA) -> float
 
4. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran2B, phi : float, psi : float, res : rosetta.core.chemical.AA, left_aa : rosetta.core.chemical.AA, right_aa : rosetta.core.chemical.AA, drama_dphi : float, drama_dpsi : float) -> float
 
5. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran2B, res : rosetta.core.conformation.Residue, rama : float, drama_dphi : float, drama_dpsi : float) -> NoneType
 
6. eval_rama_score_residue(self : rosetta.core.scoring.Ramachandran2B, res_aa : rosetta.core.chemical.AA, phi : float, psi : float, rama : float, drama_dphi : float, drama_dpsi : float) -> NoneType
left_cdf(...) from builtins.PyCapsule
left_cdf(self : rosetta.core.scoring.Ramachandran2B, aa_left : rosetta.core.chemical.AA, aa_center : rosetta.core.chemical.AA) -> rosetta.utility.vector1_double
left_cdf_for_torsion_bin(...) from builtins.PyCapsule
left_cdf_for_torsion_bin(self : rosetta.core.scoring.Ramachandran2B, aa_left : rosetta.core.chemical.AA, aa_center : rosetta.core.chemical.AA,  : rosetta.core.conformation.ppo_torsion_bin) -> rosetta.utility.vector1_double
minimum_sampling_probability(...) from builtins.PyCapsule
minimum_sampling_probability(rosetta.core.scoring.Ramachandran2B) -> float
n_phi_bins(...) from builtins.PyCapsule
n_phi_bins(rosetta.core.scoring.Ramachandran2B) -> int
n_psi_bins(...) from builtins.PyCapsule
n_psi_bins(rosetta.core.scoring.Ramachandran2B) -> int
rama_bin_probability_left(...) from builtins.PyCapsule
rama_bin_probability_left(self : rosetta.core.scoring.Ramachandran2B, aa_left : rosetta.core.chemical.AA, aa_center : rosetta.core.chemical.AA, phi : float, psi : float) -> float
rama_bin_probability_right(...) from builtins.PyCapsule
rama_bin_probability_right(self : rosetta.core.scoring.Ramachandran2B, aa_center : rosetta.core.chemical.AA, aa_right : rosetta.core.chemical.AA, phi : float, psi : float) -> float
random_phipsi_from_rama_by_torsion_bin_left(...) from builtins.PyCapsule
random_phipsi_from_rama_by_torsion_bin_left(self : rosetta.core.scoring.Ramachandran2B, left_aa : rosetta.core.chemical.AA, pos_aa : rosetta.core.chemical.AA, phi : float, psi : float, torsion_bin : rosetta.core.conformation.ppo_torsion_bin) -> NoneType
 
function for torsion-bin specific but otherwise random phi/psi angles
 
 
 Amelie Stein
random_phipsi_from_rama_by_torsion_bin_right(...) from builtins.PyCapsule
random_phipsi_from_rama_by_torsion_bin_right(self : rosetta.core.scoring.Ramachandran2B, pos_aa : rosetta.core.chemical.AA, right_aa : rosetta.core.chemical.AA, phi : float, psi : float, torsion_bin : rosetta.core.conformation.ppo_torsion_bin) -> NoneType
random_phipsi_from_rama_left(...) from builtins.PyCapsule
random_phipsi_from_rama_left(self : rosetta.core.scoring.Ramachandran2B, left_aa : rosetta.core.chemical.AA, pos_aa : rosetta.core.chemical.AA, phi : float, psi : float) -> NoneType
 
pick a phi/psi pair chosen from the rama2b distribution so that the most
 commonly observed phi/psi pairs are chosen at higher probability than the least
 commonly observed pairs; use the phi/psi distribution for the central aa (the pos aa)
 based on its "left" (n-terminal) neighbor's amino acid type.
random_phipsi_from_rama_right(...) from builtins.PyCapsule
random_phipsi_from_rama_right(self : rosetta.core.scoring.Ramachandran2B, pos_aa : rosetta.core.chemical.AA, right_aa : rosetta.core.chemical.AA, phi : float, psi : float) -> NoneType
 
pick a phi/psi pair chosen from the rama2b distribution so that the most
 commonly observed phi/psi pairs are chosen at higher probability than the least
 commonly observed pairs; use the phi/psi distribution for the central aa (the pos aa)
 based on its "right" (c-terminal) neighbor's amino acid type.
right_cdf(...) from builtins.PyCapsule
right_cdf(self : rosetta.core.scoring.Ramachandran2B, aa_center : rosetta.core.chemical.AA, aa_right : rosetta.core.chemical.AA) -> rosetta.utility.vector1_double
right_cdf_for_torsion_bin(...) from builtins.PyCapsule
right_cdf_for_torsion_bin(self : rosetta.core.scoring.Ramachandran2B, aa_center : rosetta.core.chemical.AA, aa_right : rosetta.core.chemical.AA,  : rosetta.core.conformation.ppo_torsion_bin) -> rosetta.utility.vector1_double
write_rama_score_all(...) from builtins.PyCapsule
write_rama_score_all(self : rosetta.core.scoring.Ramachandran2B, pose : rosetta.core.pose.Pose) -> NoneType

 
class ResPairMinimizationData(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
2. __init__(self : rosetta.core.scoring.ResPairMinimizationData,  : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ResPairMinimizationData,  : rosetta.core.scoring.ResPairMinimizationData) -> rosetta.core.scoring.ResPairMinimizationData
get_data(...) from builtins.PyCapsule
get_data(*args, **kwargs)
Overloaded function.
 
1. get_data(self : rosetta.core.scoring.ResPairMinimizationData, index : rosetta.core.scoring.min_pair_data) -> rosetta.basic.datacache.CacheableData
 
2. get_data(self : rosetta.core.scoring.ResPairMinimizationData, index : rosetta.core.scoring.min_pair_data) -> rosetta.basic.datacache.CacheableData
get_data_ref(...) from builtins.PyCapsule
get_data_ref(*args, **kwargs)
Overloaded function.
 
1. get_data_ref(self : rosetta.core.scoring.ResPairMinimizationData, index : rosetta.core.scoring.min_pair_data) -> rosetta.basic.datacache.CacheableData
 
2. get_data_ref(self : rosetta.core.scoring.ResPairMinimizationData, index : rosetta.core.scoring.min_pair_data) -> rosetta.basic.datacache.CacheableData
set_data(...) from builtins.PyCapsule
set_data(self : rosetta.core.scoring.ResPairMinimizationData, index : rosetta.core.scoring.min_pair_data,  : rosetta.basic.datacache.CacheableData) -> NoneType

 
class ResRangePredicate(Predicate)
    ///////////////////
 
 
Method resolution order:
ResRangePredicate
Predicate
builtins.object

Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.core.scoring.ResRangePredicate, pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
__init__(...) from builtins.PyCapsule
__init__(self : handle, start : int, end : int, predicate : rosetta.core.scoring.Predicate) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ResRangePredicate,  : rosetta.core.scoring.ResRangePredicate) -> rosetta.core.scoring.ResRangePredicate

 
class ResSingleMinimizationData(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
2. __init__(self : rosetta.core.scoring.ResSingleMinimizationData,  : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ResSingleMinimizationData,  : rosetta.core.scoring.ResSingleMinimizationData) -> rosetta.core.scoring.ResSingleMinimizationData
get_data(...) from builtins.PyCapsule
get_data(*args, **kwargs)
Overloaded function.
 
1. get_data(self : rosetta.core.scoring.ResSingleMinimizationData, index : rosetta.core.scoring.min_single_data) -> rosetta.basic.datacache.CacheableData
 
2. get_data(self : rosetta.core.scoring.ResSingleMinimizationData, index : rosetta.core.scoring.min_single_data) -> rosetta.basic.datacache.CacheableData
get_data_ref(...) from builtins.PyCapsule
get_data_ref(*args, **kwargs)
Overloaded function.
 
1. get_data_ref(self : rosetta.core.scoring.ResSingleMinimizationData, index : rosetta.core.scoring.min_single_data) -> rosetta.basic.datacache.CacheableData
 
2. get_data_ref(self : rosetta.core.scoring.ResSingleMinimizationData, index : rosetta.core.scoring.min_single_data) -> rosetta.basic.datacache.CacheableData
set_data(...) from builtins.PyCapsule
set_data(self : rosetta.core.scoring.ResSingleMinimizationData, index : rosetta.core.scoring.min_single_data, data : rosetta.basic.datacache.CacheableData) -> NoneType

 
class ResidualDipolarCoupling(rosetta.basic.datacache.CacheableData)
    ResidualDipolarCouplings are mainly handled by this class
 
 
related classed: RDC --- a single line in an RDC file - representing a single dipolar coupling
                        ResidualDipolarCouplingEnergy -- an energy method which triggers computations handled by this class.
 
 
Method resolution order:
ResidualDipolarCoupling
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
Q(...) from builtins.PyCapsule
Q(rosetta.core.scoring.ResidualDipolarCoupling) -> float
 
return the Q value ( cornilescu )  --- only valid after compute_dipscore
R(...) from builtins.PyCapsule
R(rosetta.core.scoring.ResidualDipolarCoupling) -> float
 
return the R value ( M Clore )  --- only valid after compute_dipscore
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
doc
 
2. __init__(self : handle, filename : str) -> NoneType
 
3. __init__(self : handle, data_in : rosetta.utility.vector1_core_scoring_RDC) -> NoneType
 
4. __init__(handle, rosetta.core.scoring.ResidualDipolarCoupling) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.ResidualDipolarCoupling) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ResidualDipolarCoupling, other : rosetta.core.scoring.ResidualDipolarCoupling) -> rosetta.core.scoring.ResidualDipolarCoupling
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.ResidualDipolarCoupling) -> rosetta.basic.datacache.CacheableData
compute_dipscore(...) from builtins.PyCapsule
compute_dipscore(self : rosetta.core.scoring.ResidualDipolarCoupling, pose : rosetta.core.pose.Pose) -> float
 
compute dipolar score for given pose
 will set alignment tensor and force-fields in RDC
compute_dipscore_nls(...) from builtins.PyCapsule
compute_dipscore_nls(*args, **kwargs)
Overloaded function.
 
1. compute_dipscore_nls(self : rosetta.core.scoring.ResidualDipolarCoupling, pose : rosetta.core.pose.Pose) -> float
 
fit rdc using RDC data
 
2. compute_dipscore_nls(self : rosetta.core.scoring.ResidualDipolarCoupling, pose : rosetta.core.pose.Pose, tensorDa : rosetta.utility.vector1_double, tensorR : rosetta.utility.vector1_double) -> float
compute_dipscore_nlsDa(...) from builtins.PyCapsule
compute_dipscore_nlsDa(self : rosetta.core.scoring.ResidualDipolarCoupling, pose : rosetta.core.pose.Pose, tensorDa : rosetta.utility.vector1_double) -> float
compute_dipscore_nlsDaR(...) from builtins.PyCapsule
compute_dipscore_nlsDaR(self : rosetta.core.scoring.ResidualDipolarCoupling, pose : rosetta.core.pose.Pose, tensorDa : rosetta.utility.vector1_double, tensorR : rosetta.utility.vector1_double) -> float
compute_dipscore_nlsR(...) from builtins.PyCapsule
compute_dipscore_nlsR(self : rosetta.core.scoring.ResidualDipolarCoupling, pose : rosetta.core.pose.Pose, tensorR : rosetta.utility.vector1_double) -> float
compute_tensor_stats(...) from builtins.PyCapsule
compute_tensor_stats(rosetta.core.scoring.ResidualDipolarCoupling) -> NoneType
do_correct_NH(...) from builtins.PyCapsule
do_correct_NH(self : rosetta.core.scoring.ResidualDipolarCoupling, it : __gnu_cxx::__normal_iterator<core::scoring::RDC const*, std::vector<core::scoring::RDC, std::allocator<core::scoring::RDC> > >, r : rosetta.numeric.xyzVector_double_t, r2 : float, invr : float) -> NoneType
get_RDC_data(...) from builtins.PyCapsule
get_RDC_data(rosetta.core.scoring.ResidualDipolarCoupling) -> rosetta.utility.vector1_core_scoring_RDC
 
get the raw RDC data
get_al_tensor_max_z(...) from builtins.PyCapsule
get_al_tensor_max_z(self : rosetta.core.scoring.ResidualDipolarCoupling, ex : int) -> float
get_al_tensor_trace(...) from builtins.PyCapsule
get_al_tensor_trace(self : rosetta.core.scoring.ResidualDipolarCoupling, ex : int) -> float
get_n_alignments(...) from builtins.PyCapsule
get_n_alignments(rosetta.core.scoring.ResidualDipolarCoupling) -> int
iterate_tensor_weights(...) from builtins.PyCapsule
iterate_tensor_weights(self : rosetta.core.scoring.ResidualDipolarCoupling, pose : rosetta.core.pose.Pose, sigma2 : float, tolerance : float, reset : bool) -> float
preprocess_data(...) from builtins.PyCapsule
preprocess_data(rosetta.core.scoring.ResidualDipolarCoupling) -> NoneType
 
fill internal buffers... call always when RDC lines change.
read_RDC_file(...) from builtins.PyCapsule
read_RDC_file(rosetta.core.scoring.ResidualDipolarCoupling) -> NoneType
 
read RDC data from file
release_buffers(...) from builtins.PyCapsule
release_buffers(rosetta.core.scoring.ResidualDipolarCoupling) -> NoneType
 
free memory of buffers
reserve_buffers(...) from builtins.PyCapsule
reserve_buffers(rosetta.core.scoring.ResidualDipolarCoupling) -> NoneType
 
get memory for buffers
tensor(...) from builtins.PyCapsule
tensor(rosetta.core.scoring.ResidualDipolarCoupling) -> rosetta.utility.vector0_utility_fixedsizearray0_utility_fixedsizearray0_double_3_3_t
 
return tensor of certain experiment... exp_id starts at 1

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class ResidualDipolarCoupling_Rohl(rosetta.basic.datacache.CacheableData)
    
Method resolution order:
ResidualDipolarCoupling_Rohl
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(self : handle, data_in : rosetta.utility.vector1_core_scoring_RDC_Rohl) -> NoneType
 
3. __init__(handle, rosetta.core.scoring.ResidualDipolarCoupling_Rohl) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ResidualDipolarCoupling_Rohl,  : rosetta.core.scoring.ResidualDipolarCoupling_Rohl) -> rosetta.core.scoring.ResidualDipolarCoupling_Rohl
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.ResidualDipolarCoupling_Rohl) -> rosetta.basic.datacache.CacheableData
get_RDC_data(...) from builtins.PyCapsule
get_RDC_data(rosetta.core.scoring.ResidualDipolarCoupling_Rohl) -> rosetta.utility.vector1_core_scoring_RDC_Rohl
get_RDC_data_type(...) from builtins.PyCapsule
get_RDC_data_type(self : rosetta.core.scoring.ResidualDipolarCoupling_Rohl, atom1 : str, atom2 : str) -> int
read_RDC_file(...) from builtins.PyCapsule
read_RDC_file(rosetta.core.scoring.ResidualDipolarCoupling_Rohl) -> NoneType

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class ResidueNblistData(rosetta.basic.datacache.CacheableData)
    
Method resolution order:
ResidueNblistData
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.ResidueNblistData) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ResidueNblistData,  : rosetta.core.scoring.ResidueNblistData) -> rosetta.core.scoring.ResidueNblistData
atom_neighbors(...) from builtins.PyCapsule
atom_neighbors(rosetta.core.scoring.ResidueNblistData) -> rosetta.utility.vector1_core_scoring_SmallAtNb
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.ResidueNblistData) -> rosetta.basic.datacache.CacheableData
initialize(...) from builtins.PyCapsule
initialize(*args, **kwargs)
Overloaded function.
 
1. initialize(self : rosetta.core.scoring.ResidueNblistData, res : rosetta.core.conformation.Residue, cpfxn : rosetta.core.scoring.etable.count_pair.CountPairFunction) -> NoneType
 
Initialize the residue-nblist; if there are no intra-residue interactions, then provide a null-pointing
 count-pair function.
 
2. initialize(self : rosetta.core.scoring.ResidueNblistData, res : rosetta.core.conformation.Residue, cpfxn : rosetta.core.scoring.etable.count_pair.CountPairFunction, heavy_heavy_dist_cutoff : float) -> NoneType
 
Initialize the residue-nblist; if there are no intra-residue interactions, then provide a null-pointing
 count-pair function.
 
3. initialize(self : rosetta.core.scoring.ResidueNblistData, res : rosetta.core.conformation.Residue, cpfxn : rosetta.core.scoring.etable.count_pair.CountPairFunction, heavy_heavy_dist_cutoff : float, heavy_hydrogen_dist_cutoff : float) -> NoneType
 
Initialize the residue-nblist; if there are no intra-residue interactions, then provide a null-pointing
 count-pair function.
 
4. initialize(self : rosetta.core.scoring.ResidueNblistData, res : rosetta.core.conformation.Residue, cpfxn : rosetta.core.scoring.etable.count_pair.CountPairFunction, heavy_heavy_dist_cutoff : float, heavy_hydrogen_dist_cutoff : float, hydrogen_hydrogen_dist_cutoff : float) -> NoneType
 
Initialize the residue-nblist; if there are no intra-residue interactions, then provide a null-pointing
 count-pair function.

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class ResidueNeighborConstIterator(builtins.object)
     Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(self : rosetta.core.scoring.ResidueNeighborConstIterator,  : rosetta.core.scoring.ResidueNeighborConstIterator) -> bool
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.ResidueNeighborConstIterator) -> NoneType
__ne__(...) from builtins.PyCapsule
__ne__(self : rosetta.core.scoring.ResidueNeighborConstIterator,  : rosetta.core.scoring.ResidueNeighborConstIterator) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
accumulate_energy(...) from builtins.PyCapsule
accumulate_energy(self : rosetta.core.scoring.ResidueNeighborConstIterator,  : rosetta.core.scoring.EMapVector) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ResidueNeighborConstIterator,  : rosetta.core.scoring.ResidueNeighborConstIterator) -> rosetta.core.scoring.ResidueNeighborConstIterator
energy_computed(...) from builtins.PyCapsule
energy_computed(rosetta.core.scoring.ResidueNeighborConstIterator) -> bool
lower_neighbor_id(...) from builtins.PyCapsule
lower_neighbor_id(rosetta.core.scoring.ResidueNeighborConstIterator) -> int
neighbor_id(...) from builtins.PyCapsule
neighbor_id(rosetta.core.scoring.ResidueNeighborConstIterator) -> int
plus_plus(...) from builtins.PyCapsule
plus_plus(rosetta.core.scoring.ResidueNeighborConstIterator) -> rosetta.core.scoring.ResidueNeighborConstIterator
residue_iterated_on(...) from builtins.PyCapsule
residue_iterated_on(rosetta.core.scoring.ResidueNeighborConstIterator) -> int
retrieve_energy(...) from builtins.PyCapsule
retrieve_energy(self : rosetta.core.scoring.ResidueNeighborConstIterator,  : rosetta.core.scoring.EMapVector) -> NoneType
upper_neighbor_id(...) from builtins.PyCapsule
upper_neighbor_id(rosetta.core.scoring.ResidueNeighborConstIterator) -> int

 
class ResidueNeighborIterator(builtins.object)
     Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(self : rosetta.core.scoring.ResidueNeighborIterator,  : rosetta.core.scoring.ResidueNeighborIterator) -> bool
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.ResidueNeighborIterator) -> NoneType
__ne__(...) from builtins.PyCapsule
__ne__(self : rosetta.core.scoring.ResidueNeighborIterator,  : rosetta.core.scoring.ResidueNeighborIterator) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
accumulate_energy(...) from builtins.PyCapsule
accumulate_energy(self : rosetta.core.scoring.ResidueNeighborIterator,  : rosetta.core.scoring.EMapVector) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ResidueNeighborIterator,  : rosetta.core.scoring.ResidueNeighborIterator) -> rosetta.core.scoring.ResidueNeighborIterator
energy_computed(...) from builtins.PyCapsule
energy_computed(rosetta.core.scoring.ResidueNeighborIterator) -> bool
lower_neighbor_id(...) from builtins.PyCapsule
lower_neighbor_id(rosetta.core.scoring.ResidueNeighborIterator) -> int
mark_energy_computed(...) from builtins.PyCapsule
mark_energy_computed(rosetta.core.scoring.ResidueNeighborIterator) -> NoneType
mark_energy_uncomputed(...) from builtins.PyCapsule
mark_energy_uncomputed(rosetta.core.scoring.ResidueNeighborIterator) -> NoneType
neighbor_id(...) from builtins.PyCapsule
neighbor_id(rosetta.core.scoring.ResidueNeighborIterator) -> int
plus_plus(...) from builtins.PyCapsule
plus_plus(rosetta.core.scoring.ResidueNeighborIterator) -> rosetta.core.scoring.ResidueNeighborIterator
residue_iterated_on(...) from builtins.PyCapsule
residue_iterated_on(rosetta.core.scoring.ResidueNeighborIterator) -> int
retrieve_energy(...) from builtins.PyCapsule
retrieve_energy(self : rosetta.core.scoring.ResidueNeighborIterator,  : rosetta.core.scoring.EMapVector) -> NoneType
save_energy(...) from builtins.PyCapsule
save_energy(self : rosetta.core.scoring.ResidueNeighborIterator,  : rosetta.core.scoring.EMapVector) -> NoneType
upper_neighbor_id(...) from builtins.PyCapsule
upper_neighbor_id(rosetta.core.scoring.ResidueNeighborIterator) -> int

 
class ResiduePairNeighborList(rosetta.basic.datacache.CacheableData)
    
Method resolution order:
ResiduePairNeighborList
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.ResiduePairNeighborList) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ResiduePairNeighborList,  : rosetta.core.scoring.ResiduePairNeighborList) -> rosetta.core.scoring.ResiduePairNeighborList
atom_neighbors(...) from builtins.PyCapsule
atom_neighbors(rosetta.core.scoring.ResiduePairNeighborList) -> rosetta.utility.vector1_core_scoring_SmallAtNb
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.ResiduePairNeighborList) -> rosetta.basic.datacache.CacheableData
initialize_from_residues(...) from builtins.PyCapsule
initialize_from_residues(*args, **kwargs)
Overloaded function.
 
1. initialize_from_residues(self : rosetta.core.scoring.ResiduePairNeighborList, vvd2 : float, hvd2 : float, hhd2 : float, r1 : rosetta.core.conformation.Residue, r2 : rosetta.core.conformation.Residue, cpfxn : rosetta.core.scoring.etable.count_pair.CountPairFunction) -> NoneType
 
2. initialize_from_residues(self : rosetta.core.scoring.ResiduePairNeighborList, vvd2 : float, hvd2 : float, hhd2 : float, r1 : rosetta.core.conformation.Residue, r2 : rosetta.core.conformation.Residue, cpfxn : rosetta.core.scoring.etable.count_pair.CountPairFunction, r1_map : rosetta.std.map_unsigned_long_unsigned_long, r2_map : rosetta.std.map_unsigned_long_unsigned_long) -> NoneType

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class SASAPotential(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.SASAPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.SASAPotential,  : rosetta.core.scoring.SASAPotential) -> rosetta.core.scoring.SASAPotential
eval_residue_pair_derivatives(...) from builtins.PyCapsule
eval_residue_pair_derivatives(self : rosetta.core.scoring.SASAPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, factor : float, r1_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
get_res_res_sasa(...) from builtins.PyCapsule
get_res_res_sasa(self : rosetta.core.scoring.SASAPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue) -> float
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.SASAPotential, pose : rosetta.core.pose.Pose) -> NoneType
vertex_count(...) from builtins.PyCapsule
vertex_count(rosetta.core.scoring.SASAPotential) -> int

 
class SAnode(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.core.scoring.SAnode, inter : rosetta.core.scoring.PDinter, other_atom : rosetta.core.scoring.PDatom, ct : float, phi : float) -> NoneType
 
2. __init__(self : rosetta.core.scoring.SAnode, inter : rosetta.core.scoring.PDinter, other_atom : rosetta.core.scoring.PDatom) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.SAnode,  : rosetta.core.scoring.SAnode) -> rosetta.core.scoring.SAnode
cos_theta(...) from builtins.PyCapsule
cos_theta(rosetta.core.scoring.SAnode) -> float
inter(...) from builtins.PyCapsule
inter(rosetta.core.scoring.SAnode) -> rosetta.core.scoring.PDinter
other_atom(...) from builtins.PyCapsule
other_atom(rosetta.core.scoring.SAnode) -> rosetta.core.scoring.PDatom
phi(...) from builtins.PyCapsule
phi(rosetta.core.scoring.SAnode) -> float
set_cos_theta(...) from builtins.PyCapsule
set_cos_theta(self : rosetta.core.scoring.SAnode, ct : float) -> NoneType
set_phi(...) from builtins.PyCapsule
set_phi(self : rosetta.core.scoring.SAnode, p : float) -> NoneType
xyz(...) from builtins.PyCapsule
xyz(rosetta.core.scoring.SAnode) -> rosetta.numeric.xyzVector_double_t

 
class SS_Info(rosetta.basic.datacache.CacheableData)
    ///////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
SS_Info
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle, rosetta.core.scoring.SS_Info) -> NoneType
 
2. __init__(handle) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.SS_Info,  : rosetta.core.scoring.SS_Info) -> rosetta.core.scoring.SS_Info
bb_pos(...) from builtins.PyCapsule
bb_pos(*args, **kwargs)
Overloaded function.
 
1. bb_pos(rosetta.core.scoring.SS_Info) -> rosetta.core.scoring.BB_Pos
 
2. bb_pos(rosetta.core.scoring.SS_Info) -> rosetta.core.scoring.BB_Pos
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.SS_Info) -> rosetta.basic.datacache.CacheableData
helices(...) from builtins.PyCapsule
helices(*args, **kwargs)
Overloaded function.
 
1. helices(rosetta.core.scoring.SS_Info) -> rosetta.core.scoring.Helices
 
2. helices(rosetta.core.scoring.SS_Info) -> rosetta.core.scoring.Helices
resize(...) from builtins.PyCapsule
resize(self : rosetta.core.scoring.SS_Info, nres : int) -> NoneType
strands(...) from builtins.PyCapsule
strands(*args, **kwargs)
Overloaded function.
 
1. strands(rosetta.core.scoring.SS_Info) -> rosetta.core.scoring.Strands
 
2. strands(rosetta.core.scoring.SS_Info) -> rosetta.core.scoring.Strands

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class SS_Killhairpins_Info(rosetta.basic.datacache.CacheableData)
    ///////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
SS_Killhairpins_Info
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.SS_Killhairpins_Info) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.SS_Killhairpins_Info,  : rosetta.core.scoring.SS_Killhairpins_Info) -> rosetta.core.scoring.SS_Killhairpins_Info
check_hairpin(...) from builtins.PyCapsule
check_hairpin(self : rosetta.core.scoring.SS_Killhairpins_Info, strand1_res : int, strand2_res : int) -> bool
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.SS_Killhairpins_Info) -> rosetta.basic.datacache.CacheableData
hairpins(...) from builtins.PyCapsule
hairpins(*args, **kwargs)
Overloaded function.
 
1. hairpins(rosetta.core.scoring.SS_Killhairpins_Info) -> rosetta.core.scoring.Hairpins
 
2. hairpins(rosetta.core.scoring.SS_Killhairpins_Info) -> rosetta.core.scoring.Hairpins
kill_antiparallel(...) from builtins.PyCapsule
kill_antiparallel(rosetta.core.scoring.SS_Killhairpins_Info) -> bool
kill_parallel(...) from builtins.PyCapsule
kill_parallel(rosetta.core.scoring.SS_Killhairpins_Info) -> bool
setup_from_kill_hairpins_file(...) from builtins.PyCapsule
setup_from_kill_hairpins_file(self : rosetta.core.scoring.SS_Killhairpins_Info, input_file : rosetta.utility.io.izstream) -> NoneType
setup_from_psipred(...) from builtins.PyCapsule
setup_from_psipred(self : rosetta.core.scoring.SS_Killhairpins_Info, input_file : rosetta.utility.io.izstream) -> NoneType
setup_killhairpins(...) from builtins.PyCapsule
setup_killhairpins(rosetta.core.scoring.SS_Killhairpins_Info) -> NoneType

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class ScoreFunction(builtins.object)
    This object defines a ScoreFunction, it contains methods for
calculating the various scoring components (called ScoreType's) used in
Rosetta. It also contains weights that are applied to each of those
components. Only scoring components with non-zero weights are calculated.
 
  Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> float
 
//////////////////////////////////////////////////////////////////////////
 
 
 Scores the given  <pose>  using this ScoreFunction. Alters the
 Energies object within  <pose>, but does not alter this ScoreFunction
__getitem__(...) from builtins.PyCapsule
__getitem__(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> float
 
Returns the weight of the ScoreType  <t>
 
 example(s):
     scorefxn[fa_sol]
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
__init__(...) from builtins.PyCapsule
__init__(handle) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.ScoreFunction) -> str
add_extra_method(...) from builtins.PyCapsule
add_extra_method(*args, **kwargs)
Overloaded function.
 
1. add_extra_method(self : rosetta.core.scoring.ScoreFunction, new_type : rosetta.core.scoring.ScoreType, new_weight : float, new_method : core::scoring::methods::EnergyMethod) -> NoneType
 
Adds a scoring method that is not necessarily included in
 the core library
 
2. add_extra_method(self : rosetta.core.scoring.ScoreFunction, new_weights : rosetta.std.map_core_scoring_ScoreType_double, new_method : core::scoring::methods::EnergyMethod) -> NoneType
 
Adds a scoring method that is not necessarily included in
 the core library
add_weights_from_file(...) from builtins.PyCapsule
add_weights_from_file(self : rosetta.core.scoring.ScoreFunction, filename : str) -> NoneType
 
Initializes this ScoreFunction from the given  <filename>
all_energies_begin(...) from builtins.PyCapsule
all_energies_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::EnergyMethod const> const*, std::vector<std::shared_ptr<core::scoring::methods::EnergyMethod const>, std::allocator<std::shared_ptr<core::scoring::methods::EnergyMethod const> > > >
all_energies_end(...) from builtins.PyCapsule
all_energies_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::EnergyMethod const> const*, std::vector<std::shared_ptr<core::scoring::methods::EnergyMethod const>, std::allocator<std::shared_ptr<core::scoring::methods::EnergyMethod const> > > >
all_methods(...) from builtins.PyCapsule
all_methods(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_std_shared_ptr_const_core_scoring_methods_EnergyMethod_t
any_lr_residue_pair_energy(...) from builtins.PyCapsule
any_lr_residue_pair_energy(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, res1 : int, res2 : int) -> bool
apply_patch_from_file(...) from builtins.PyCapsule
apply_patch_from_file(self : rosetta.core.scoring.ScoreFunction, filename : str) -> NoneType
 
Applies a patch from the given  <filename>
are_they_neighbors(...) from builtins.PyCapsule
are_they_neighbors(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, pos1 : int, pos2 : int) -> bool
 
Returns true if the  <pose>  positions  <pos1>  and  <pos2>
 are neighbors
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.ScoreFunction, src : rosetta.core.scoring.ScoreFunction) -> NoneType
 
NOT FOR GENERAL USE
 Copy the information about src into the current score function.
 There are deep interactions with subclasses,
 (the subclass information doesn't necessarily get copied)
 so this is primarily for advanced scorefunction manipulation.
 Normal usage should just use clone() and replace the OP.
bump_check_backbone(...) from builtins.PyCapsule
bump_check_backbone(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Scores the sidechain from  <pose>  Residue  <rsd1>  against the
 backbone of Residue  <rsd2>
bump_check_full(...) from builtins.PyCapsule
bump_check_full(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
cd_1b_types(...) from builtins.PyCapsule
cd_1b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all cd 1b score types
cd_2b_begin(...) from builtins.PyCapsule
cd_2b_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> > > >
cd_2b_end(...) from builtins.PyCapsule
cd_2b_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentTwoBodyEnergy> > > >
cd_2b_intrares_begin(...) from builtins.PyCapsule
cd_2b_intrares_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
cd_2b_intrares_end(...) from builtins.PyCapsule
cd_2b_intrares_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
cd_2b_types(...) from builtins.PyCapsule
cd_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all cd 2b score types
cd_lr_2b_methods_begin(...) from builtins.PyCapsule
cd_lr_2b_methods_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> > > >
cd_lr_2b_methods_end(...) from builtins.PyCapsule
cd_lr_2b_methods_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextDependentLRTwoBodyEnergy> > > >
cd_lr_2b_types(...) from builtins.PyCapsule
cd_lr_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
check_methods_in_right_order(...) from builtins.PyCapsule
check_methods_in_right_order(self : rosetta.core.scoring.ScoreFunction, score_type_in_first_method : rosetta.core.scoring.ScoreType, score_type_in_second_method : rosetta.core.scoring.ScoreType) -> bool
 
check order of methods
ci_1b_types(...) from builtins.PyCapsule
ci_1b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all ci 1b score types
ci_2b_begin(...) from builtins.PyCapsule
ci_2b_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> > > >
ci_2b_end(...) from builtins.PyCapsule
ci_2b_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentTwoBodyEnergy> > > >
ci_2b_intrares_begin(...) from builtins.PyCapsule
ci_2b_intrares_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
ci_2b_intrares_end(...) from builtins.PyCapsule
ci_2b_intrares_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::TwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::TwoBodyEnergy> > > >
ci_2b_types(...) from builtins.PyCapsule
ci_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
convenience access to all ci 2b score types
ci_lr_2b_methods_begin(...) from builtins.PyCapsule
ci_lr_2b_methods_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> > > >
ci_lr_2b_methods_end(...) from builtins.PyCapsule
ci_lr_2b_methods_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::ContextIndependentLRTwoBodyEnergy> > > >
ci_lr_2b_types(...) from builtins.PyCapsule
ci_lr_2b_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.ScoreFunction
 
Create a copy of the scorefunction
 Virtual to keep subclass information.
clone_as_base_class(...) from builtins.PyCapsule
clone_as_base_class(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.ScoreFunction
 
If you *want* to discard subclass information, the following function is availible
energy_method_options(...) from builtins.PyCapsule
energy_method_options(rosetta.core.scoring.ScoreFunction) -> core::scoring::methods::EnergyMethodOptions
 
Returns the EnergyMethodOptions object contained in this
 ScoreFunction (const access)
eval_cd_1b(...) from builtins.PyCapsule
eval_cd_1b(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted one body energies of all context
 dependent one body energies for  <pose>  Residue  <rsd>  into
 EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b(...) from builtins.PyCapsule
eval_cd_2b(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulate the unweighted short range context dependent two body
 interaction energies of  <pose>  between Residue  <rsd1>  and Residue
 <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b_bb_bb(...) from builtins.PyCapsule
eval_cd_2b_bb_bb(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short ranged context dependent two body
 interaction energies of  <pose>  between the backbones of Residue
 <rsd1>  and  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b_bb_sc(...) from builtins.PyCapsule
eval_cd_2b_bb_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short ranged context dependent two body
 interaction energies of  <pose>  between the backbone of Residue  <rsd1>
 and the sidechain of Residue  <rsd2>  into EnergyMap <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_2b_sc_sc(...) from builtins.PyCapsule
eval_cd_2b_sc_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short ranged context dependent two body
 interaction energies of  <pose>  between the sidechains of Residue
 <rsd1>  and Residue  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_cd_intrares_energy(...) from builtins.PyCapsule
eval_cd_intrares_energy(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted intra-residue one body energies for all
 context dependent two body terms that define intra-residue energies of
 <pose>  Residue  <rsd>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_1b(...) from builtins.PyCapsule
eval_ci_1b(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
eval_ci_2b(...) from builtins.PyCapsule
eval_ci_2b(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted context independent two body
 interaction energies of  <pose>  between Residue  <rsd1>  and Residue
 <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_2b_bb_bb(...) from builtins.PyCapsule
eval_ci_2b_bb_bb(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted context independent two body
 interaction energies of  <pose>  between the backbones of Residue
 <rsd1>  and Residue  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_2b_bb_sc(...) from builtins.PyCapsule
eval_ci_2b_bb_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short range context independent two
 body interaction energies of  <pose>  between the backbone of Residue
 <rsd1>  and the sidechain of Residue  <rsd2>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_2b_sc_sc(...) from builtins.PyCapsule
eval_ci_2b_sc_sc(self : rosetta.core.scoring.ScoreFunction, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted short range context dependent two body
 interaction energies of  <pose>  between the sidechains of Residue  <rsd1>
 and Residue  <rsd2>  into Energymap  <emap>
 
 
: EnergyMap is an EMapVector
eval_ci_intrares_energy(...) from builtins.PyCapsule
eval_ci_intrares_energy(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates the unweighted intra-residue one body energies for all
 context independent two body terms that define intra-residue energies of
 <pose>  Residue  <rsd>  into EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
eval_dof_derivative(...) from builtins.PyCapsule
eval_dof_derivative(self : rosetta.core.scoring.ScoreFunction, dof_id : rosetta.core.id.DOF_ID, torsion_id : core::id::TorsionID, pose : rosetta.core.pose.Pose) -> float
eval_intrares_energy(...) from builtins.PyCapsule
eval_intrares_energy(self : rosetta.core.scoring.ScoreFunction, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Accumulates for rsd the unweighted intra-residue one body energies
 for all context dependent and context independent two body terms that
 define intra-residue energies
 
 
: EnergyMap is an EMapVector
eval_long_range_twobody_energies(...) from builtins.PyCapsule
eval_long_range_twobody_energies(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
eval_npd_atom_derivative(...) from builtins.PyCapsule
eval_npd_atom_derivative(self : rosetta.core.scoring.ScoreFunction, atom_id : rosetta.core.id.AtomID, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
eval_onebody_energies(...) from builtins.PyCapsule
eval_onebody_energies(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
eval_twobody_neighbor_energies(...) from builtins.PyCapsule
eval_twobody_neighbor_energies(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
evaluate_rotamer_background_energies(...) from builtins.PyCapsule
evaluate_rotamer_background_energies(self : rosetta.core.scoring.ScoreFunction, set1 : rosetta.core.conformation.RotamerSetBase, residue2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, energy_vector : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_intrares_energies(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energies(self : rosetta.core.scoring.ScoreFunction, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, energies : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_intrares_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energy_maps(self : rosetta.core.scoring.ScoreFunction, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
evaluate_rotamer_pair_energies(...) from builtins.PyCapsule
evaluate_rotamer_pair_energies(self : rosetta.core.scoring.ScoreFunction, set1 : rosetta.core.conformation.RotamerSetBase, set2 : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, energy_table : ObjexxFCL::FArray2D<float>) -> NoneType
finalize_after_derivatives(...) from builtins.PyCapsule
finalize_after_derivatives(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
get_name(...) from builtins.PyCapsule
get_name(rosetta.core.scoring.ScoreFunction) -> str
get_nonzero_weighted_scoretypes(...) from builtins.PyCapsule
get_nonzero_weighted_scoretypes(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Returns a list of the ScoreTypes which are non-zero with
 their current weights
 
 example(s):
     scorefxn.get_nonzero_weighted_scoretypes()
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.ScoreFunction
 
self pointers
 
2. get_self_ptr(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.ScoreFunction
get_sub_score(...) from builtins.PyCapsule
get_sub_score(*args, **kwargs)
Overloaded function.
 
1. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool) -> float
 
Compute the score for subset of residues
 
2. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
 
3. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool) -> float
 
Compute the score for subset of residues
 
4. get_sub_score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residue_mask : rosetta.utility.vector1_bool, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
get_sub_score_exclude_res(...) from builtins.PyCapsule
get_sub_score_exclude_res(*args, **kwargs)
Overloaded function.
 
1. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long) -> float
 
Compute the score for subset of residues
 
2. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
 
3. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long) -> float
 
Compute the score for subset of residues
 
4. get_sub_score_exclude_res(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, exclude_list : rosetta.utility.vector1_unsigned_long, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Compute the score for subset of residues
get_weight(...) from builtins.PyCapsule
get_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> float
 
Returns the weight for ScoreType  <t>
 
 examples(s):
     scorefxn.get_weight(fa_sol)
 See also:
     ScoreFunction
     ScoreFunction.set_weight
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
has_nonzero_weight(...) from builtins.PyCapsule
has_nonzero_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> bool
 
Returns true if the ScoreType  <t>  has a non-zero weight
 
 example(s):
     scorefxn.has_nonzero_weight(fa_sol)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.has_zero_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
has_zero_weight(...) from builtins.PyCapsule
has_zero_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType) -> bool
 
Returns true if the ScoreType  <t>  has a weight of zero,
 
 example(s):
     scorefxn.has_zero_weight(fa_sol)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.has_nonzero_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
indicate_required_context_graphs(...) from builtins.PyCapsule
indicate_required_context_graphs(self : rosetta.core.scoring.ScoreFunction, context_graphs_required : rosetta.utility.vector1_bool) -> NoneType
 
find which context graphs the energy methods require
info(...) from builtins.PyCapsule
info(rosetta.core.scoring.ScoreFunction) -> core::scoring::ScoreFunctionInfo
 
return an object to describe abstractly the methods contained in this
 ScoreFunction so that class Energies can ensure that the ScoreFunction is
 properly evaluated (ie, no obsolete cashed data is used )
initialize_from_file(...) from builtins.PyCapsule
initialize_from_file(self : rosetta.core.scoring.ScoreFunction, filename : str) -> NoneType
 
Resets everything before reading the  <filename>
long_range_energies_begin(...) from builtins.PyCapsule
long_range_energies_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> > > >
long_range_energies_end(...) from builtins.PyCapsule
long_range_energies_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> const*, std::vector<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const>, std::allocator<std::shared_ptr<core::scoring::methods::LongRangeTwoBodyEnergy const> > > >
max_atomic_interaction_cutoff(...) from builtins.PyCapsule
max_atomic_interaction_cutoff(rosetta.core.scoring.ScoreFunction) -> float
 
Returns the largest atomic interaction cutoff required by the
 EnergyMethods
merge(...) from builtins.PyCapsule
merge(self : rosetta.core.scoring.ScoreFunction, scorefxn_to_be_merged : rosetta.core.scoring.ScoreFunction) -> NoneType
 
Merges in the weights of another score function
 
 example(s):
     scorefxn.merge(scorefxn2)
 See also:
     ScoreFunction
     ScoreFunction.weights
     Energies
     create_score_function
name(...) from builtins.PyCapsule
name(self : rosetta.core.scoring.ScoreFunction, weights_tag : str) -> NoneType
 
Accumulates the unweighted one body energies of all context
 independent one body energies for  <pose>  Residue  <rsd>  into
 EnergyMap  <emap>
 
 
: EnergyMap is an EMapVector
perturb_weights(...) from builtins.PyCapsule
perturb_weights(rosetta.core.scoring.ScoreFunction) -> NoneType
 
Randomly perturbs non-zero score function weights
prepare_rotamers_for_packing(...) from builtins.PyCapsule
prepare_rotamers_for_packing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, set : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
Lets the scoring functions cache anything they need to rapidly
 calculate rotamer pair energies used in packing (like a trie, e.g.)
ready_for_nonideal_scoring(...) from builtins.PyCapsule
ready_for_nonideal_scoring(rosetta.core.scoring.ScoreFunction) -> bool
reinitialize_minnode_for_residue(...) from builtins.PyCapsule
reinitialize_minnode_for_residue(self : rosetta.core.scoring.ScoreFunction, min_node : core::scoring::MinimizationNode, rsd : rosetta.core.conformation.Residue, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose) -> NoneType
reset(...) from builtins.PyCapsule
reset(rosetta.core.scoring.ScoreFunction) -> NoneType
 
Resets the ScoreFunction to default values
reset_energy_methods(...) from builtins.PyCapsule
reset_energy_methods(rosetta.core.scoring.ScoreFunction) -> NoneType
score(...) from builtins.PyCapsule
score(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> float
 
Scores the given  <pose>  using this ScoreFunction. Alters the
 Energies object within  <pose>, but does not alter this ScoreFunction
 
 
: Synonym for () operator. Makes code look a little nicer. Doesn't
 do anything but call () operator.
score_by_scoretype(...) from builtins.PyCapsule
score_by_scoretype(*args, **kwargs)
Overloaded function.
 
1. score_by_scoretype(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, t : rosetta.core.scoring.ScoreType) -> float
 
Returns the score of the ScoreType  <t>
 
2. score_by_scoretype(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, t : rosetta.core.scoring.ScoreType, weighted : bool) -> float
 
Returns the score of the ScoreType  <t>
score_types_by_method_type(...) from builtins.PyCapsule
score_types_by_method_type(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.methods.EnergyMethodType) -> rosetta.utility.vector1_core_scoring_ScoreType
serialize_weights(...) from builtins.PyCapsule
serialize_weights(rosetta.core.scoring.ScoreFunction) -> str
 
Serializes the non-zero score function term weights
 Format: { term : weight, ... }
set_energy_method_options(...) from builtins.PyCapsule
set_energy_method_options(self : rosetta.core.scoring.ScoreFunction, energy_method_options_in : core::scoring::methods::EnergyMethodOptions) -> NoneType
 
Sets the EnergyMethodOptions object contained in this ScoreFunction.
 with appropriate update of all the energy methods.
set_etable(...) from builtins.PyCapsule
set_etable(self : rosetta.core.scoring.ScoreFunction, etable_name : str) -> NoneType
 
Given a  <filename> (represented by a std::string), set the
 e_table for this ScoreFunction.
set_method_weights(...) from builtins.PyCapsule
set_method_weights(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType, wts : rosetta.utility.vector1_double) -> NoneType
set_weight(...) from builtins.PyCapsule
set_weight(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
 
Sets the weight for ScoreType  <t>  to  <setting>
 
 example(s):
     scorefxn.set_weight(fa_sol,.5)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
set_weight_if_zero(...) from builtins.PyCapsule
set_weight_if_zero(self : rosetta.core.scoring.ScoreFunction, t : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
 
Sets the weight for ScoreType  <t>  to  <setting> if weight is originally zero
 
 example(s):
     scorefxn.set_weight_if_zero(fa_sol,.5)
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
setup_for_lr2benmeth_minimization_for_respair(...) from builtins.PyCapsule
setup_for_lr2benmeth_minimization_for_respair(*args, **kwargs)
Overloaded function.
 
1. setup_for_lr2benmeth_minimization_for_respair(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, lr2benergy : core::scoring::methods::LongRangeTwoBodyEnergy, g : core::scoring::MinimizationGraph, min_map : core::kinematics::MinimizerMapBase, p : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, rni : core::scoring::ResidueNeighborConstIterator, fixed_energies : rosetta.core.scoring.EMapVector) -> NoneType
 
Initialize an edge in the MinimizationGraph with a particular long-range two body
 
2. setup_for_lr2benmeth_minimization_for_respair(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, lr2benergy : core::scoring::methods::LongRangeTwoBodyEnergy, g : core::scoring::MinimizationGraph, min_map : core::kinematics::MinimizerMapBase, p : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, rni : core::scoring::ResidueNeighborConstIterator, fixed_energies : rosetta.core.scoring.EMapVector, edge_weight : float) -> NoneType
 
Initialize an edge in the MinimizationGraph with a particular long-range two body
 
3. setup_for_lr2benmeth_minimization_for_respair(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, lr2benergy : core::scoring::methods::LongRangeTwoBodyEnergy, g : core::scoring::MinimizationGraph, min_map : core::kinematics::MinimizerMapBase, p : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, rni : core::scoring::ResidueNeighborConstIterator, fixed_energies : rosetta.core.scoring.EMapVector, edge_weight : float, edge_dweight : float) -> NoneType
 
Initialize an edge in the MinimizationGraph with a particular long-range two body
setup_for_minimizing(...) from builtins.PyCapsule
setup_for_minimizing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, min_map : core::kinematics::MinimizerMapBase) -> NoneType
 
Initializes a MinimizationGraph and caches it in
 Energies object of  <pose>
 
 
: for use during minimization
setup_for_minimizing_for_node(...) from builtins.PyCapsule
setup_for_minimizing_for_node(self : rosetta.core.scoring.ScoreFunction, min_node : core::scoring::MinimizationNode, rsd : rosetta.core.conformation.Residue, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose, accumulate_fixed_energies : bool, fixed_energies : rosetta.core.scoring.EMapVector) -> NoneType
 
Initialize a single node of a MinimizationGraph with the one-body and two-body
 energy methods that are held within this ScoreFunction object.
setup_for_minimizing_sr2b_enmeths_for_minedge(...) from builtins.PyCapsule
setup_for_minimizing_sr2b_enmeths_for_minedge(*args, **kwargs)
Overloaded function.
 
1. setup_for_minimizing_sr2b_enmeths_for_minedge(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, min_edge : core::scoring::MinimizationEdge, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, energy_edge : core::scoring::EnergyEdge, fixed_energies : rosetta.core.scoring.EMapVector) -> NoneType
 
Initialize a single MinimizationEdge for a particular part of residues, storing
 sr2b energy method pointers on the edge for those sr2b energy methods in this ScoreFunction
 
2. setup_for_minimizing_sr2b_enmeths_for_minedge(self : rosetta.core.scoring.ScoreFunction, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, min_edge : core::scoring::MinimizationEdge, min_map : core::kinematics::MinimizerMapBase, pose : rosetta.core.pose.Pose, res_moving_wrt_eachother : bool, accumulate_fixed_energies : bool, energy_edge : core::scoring::EnergyEdge, fixed_energies : rosetta.core.scoring.EMapVector, edge_weight : float) -> NoneType
 
Initialize a single MinimizationEdge for a particular part of residues, storing
 sr2b energy method pointers on the edge for those sr2b energy methods in this ScoreFunction
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, residues_repacking : rosetta.utility.vector1_bool, residues_designing : rosetta.utility.vector1_bool) -> NoneType
 
Lets the scoring functions cache anything they need to calculate
 energies in a packing step (rotamer_trials or pack_rotamers)
 
 
: the Etable caches tries for each of the residues, the
 hydrogen bond function caches backbone/backbone hydrogen bonds
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
 
For external scorers: Let the energy methods prepare for
 evaluating their scores on a particular structure
 
 
: invoked during scoring.
show(...) from builtins.PyCapsule
show(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose) -> NoneType
 
Scores  <pose>  and shows the raw and weighted scores for each
 non-zero ScoreType
 
 
: this function is mostly for convenience in PyRosetta
 
 example(s):
     scorefxn.show(pose)
 See also:
     ScoreFunction
     ScoreFunction.weights
     Energies
     create_score_function
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.ScoreFunction, pose : rosetta.core.pose.Pose, resid : int) -> NoneType
 
If inside packing, the pose changes conformation, inform the
 scoring functions that any data they have cached in the Energies object
 is out of date. In particular, this is to update the trie(s) during
 rotamer trials.
weights(...) from builtins.PyCapsule
weights(rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.EMapVector
 
Returns an EnergyMap of the current set of weights
 
 example(s):
     scorefxn.weights()
 See also:
     ScoreFunction
     ScoreFunction.get_weight
     ScoreFunction.set_weight
     ScoreFunction.weights
     ScoreType
     create_score_function
     name_from_score_type
     score_type_from_name
whole_structure_types(...) from builtins.PyCapsule
whole_structure_types(rosetta.core.scoring.ScoreFunction) -> rosetta.utility.vector1_core_scoring_ScoreType
ws_methods_begin(...) from builtins.PyCapsule
ws_methods_begin(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::WholeStructureEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> > > >
ws_methods_end(...) from builtins.PyCapsule
ws_methods_end(rosetta.core.scoring.ScoreFunction) -> __gnu_cxx::__normal_iterator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> const*, std::vector<std::shared_ptr<core::scoring::methods::WholeStructureEnergy>, std::allocator<std::shared_ptr<core::scoring::methods::WholeStructureEnergy> > > >

 
class ScoreFunctionFactory(builtins.object)
    A collection of functions for making a single score_function
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.ScoreFunctionFactory) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
create_score_function(...) from builtins.PyCapsule
create_score_function(*args, **kwargs)
Overloaded function.
 
1. create_score_function(weights_tag : str) -> rosetta.core.scoring.ScoreFunction
 
Returns a ScoreFunction from the database weights file  <weights_tag>
 
 example(s):
     scorefxn = create_score_function('standard')
 See also:
     ScoreFunction
     ScoreFunction.show
     ScoreFunction.weights
     ScoreType
 
2. create_score_function(options : rosetta.utility.options.OptionCollection, weights_tag : str) -> rosetta.core.scoring.ScoreFunction
 
3. create_score_function(weights_tag : str, patch_tag : str) -> rosetta.core.scoring.ScoreFunction
 
Returns a ScoreFunction from the database weights file  <weights_tag>
 with the patch <patch_tag>
 
 example(s):
 See also:
     ScoreFunction
     ScoreFunction.show
     ScoreFunction.weights
     ScoreType
 
4. create_score_function(options : rosetta.utility.options.OptionCollection, weights_tag : str, patch_tag : str) -> rosetta.core.scoring.ScoreFunction
 
5. create_score_function(weights_tag : str, patch_tags : rosetta.utility.vector1_std_string) -> rosetta.core.scoring.ScoreFunction
 
Returns a ScoreFunction from the database weights file  <weights_tag>  with patches in <patch_tags>
 
6. create_score_function(options : rosetta.utility.options.OptionCollection, weights_tag : str, patch_tags : rosetta.utility.vector1_std_string) -> rosetta.core.scoring.ScoreFunction
list_read_options(...) from builtins.PyCapsule
list_read_options(opts : rosetta.std.list_utility_keys_VariantKey_utility_options_OptionKey_std_allocator_utility_keys_VariantKey_utility_options_OptionKey_t) -> NoneType
 
A documentation function which reports the set of options read by the create_score_function variants

 
class ScoreFunctionInfo(builtins.object)
    This object is handed to the pose's Energies object and stored
along with the cached energies. It is used in the next scoring
evaluation to decide whether it's safe to reuse cached energies.
 
It must describe the kinds of context that the Energies object provides
to the scoring function.  If any scoring function requires a tenA
neighbor graph, then that information is stored here.  If a scoring
function requires a different kind of neighborness graph (think
centroid mode), then this class will indicate the kind of storage.
 
Finally, it must describe the maximum atom-to-atom distance cutoff that characterizes
the energy function.
 
So all we need is a constructor and an operator==
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.ScoreFunctionInfo) -> NoneType
 
2. __init__(self : rosetta.core.scoring.ScoreFunctionInfo, src : rosetta.core.scoring.ScoreFunctionInfo) -> NoneType
 
3. __init__(self : rosetta.core.scoring.ScoreFunctionInfo, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
initialize_from(...) from builtins.PyCapsule
initialize_from(self : rosetta.core.scoring.ScoreFunctionInfo, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
max_atomic_interaction_distance(...) from builtins.PyCapsule
max_atomic_interaction_distance(rosetta.core.scoring.ScoreFunctionInfo) -> float
max_context_neighbor_cutoff(...) from builtins.PyCapsule
max_context_neighbor_cutoff(rosetta.core.scoring.ScoreFunctionInfo) -> float
requires_context_graph(...) from builtins.PyCapsule
requires_context_graph(self : rosetta.core.scoring.ScoreFunctionInfo, cgt : rosetta.core.scoring.ContextGraphType) -> bool
scores_present(...) from builtins.PyCapsule
scores_present(rosetta.core.scoring.ScoreFunctionInfo) -> rosetta.core.scoring.EMapVector

 
class ScoreType(builtins.object)
    Type for looking up cached energies
 
 
I guess we could get rid of the fa_ prefix, except maybe for
fa_pair, to distinguish from std::pair and the centroid pair score...
 
  Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(rosetta.core.scoring.ScoreType, rosetta.core.scoring.ScoreType) -> bool
__hash__(...) from builtins.PyCapsule
__hash__(rosetta.core.scoring.ScoreType) -> int
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.ScoreType, int) -> NoneType
 
2. __init__(rosetta.core.scoring.ScoreType, int) -> NoneType
__int__(...) from builtins.PyCapsule
__int__(rosetta.core.scoring.ScoreType) -> int
__ne__(...) from builtins.PyCapsule
__ne__(rosetta.core.scoring.ScoreType, rosetta.core.scoring.ScoreType) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__repr__(...) from builtins.PyCapsule
__repr__(rosetta.core.scoring.ScoreType) -> str

Data and other attributes defined here:
DFIRE = ScoreType.DFIRE
FaMPEnv = ScoreType.FaMPEnv
FaMPEnvSmooth = ScoreType.FaMPEnvSmooth
FaMPSolv = ScoreType.FaMPSolv
Hpol_bond_geometry = ScoreType.Hpol_bond_geometry
MPCbeta = ScoreType.MPCbeta
MPEnv = ScoreType.MPEnv
MPLipo = ScoreType.MPLipo
MPNonHelix = ScoreType.MPNonHelix
MPPair = ScoreType.MPPair
MPTMProj = ScoreType.MPTMProj
MPTermini = ScoreType.MPTermini
Mcbeta = ScoreType.Mcbeta
Menv = ScoreType.Menv
Menv_non_helix = ScoreType.Menv_non_helix
Menv_smooth = ScoreType.Menv_smooth
Menv_termini = ScoreType.Menv_termini
Menv_tm_proj = ScoreType.Menv_tm_proj
Mlipo = ScoreType.Mlipo
Mpair = ScoreType.Mpair
PB_elec = ScoreType.PB_elec
ProQ = ScoreType.ProQ
ProQM = ScoreType.ProQM
PyRosettaEnergy_first = ScoreType.PyRosettaEnergy_first
PyRosettaEnergy_last = ScoreType.PyRosettaEnergy_last
PyRosettaTwoBodyContextDependentEnergy_first = ScoreType.PyRosettaTwoBodyContextDependentEnergy_first
PyRosettaTwoBodyContextDependentEnergy_last = ScoreType.PyRosettaTwoBodyContextDependentEnergy_last
PyRosettaTwoBodyContextIndepenedentEnergy_first = ScoreType.PyRosettaTwoBodyContextIndepenedentEnergy_first
PyRosettaTwoBodyContextIndepenedentEnergy_last = ScoreType.PyRosettaTwoBodyContextIndepenedentEnergy_last
aa_cmp = ScoreType.aa_cmp
aa_composition = ScoreType.aa_composition
aa_repeat = ScoreType.aa_repeat
abego = ScoreType.abego
angle_constraint = ScoreType.angle_constraint
atom_pair_constraint = ScoreType.atom_pair_constraint
backbone_stub_constraint = ScoreType.backbone_stub_constraint
backbone_stub_linear_constraint = ScoreType.backbone_stub_linear_constraint
base_pair_constraint = ScoreType.base_pair_constraint
big_bin_constraint = ScoreType.big_bin_constraint
bond_geometry = ScoreType.bond_geometry
burial = ScoreType.burial
cart_bonded = ScoreType.cart_bonded
cart_bonded_angle = ScoreType.cart_bonded_angle
cart_bonded_length = ScoreType.cart_bonded_length
cart_bonded_torsion = ScoreType.cart_bonded_torsion
cbeta = ScoreType.cbeta
cbeta_smooth = ScoreType.cbeta_smooth
cen_env_smooth = ScoreType.cen_env_smooth
cen_hb = ScoreType.cen_hb
cen_pair_motif_degree = ScoreType.cen_pair_motif_degree
cen_pair_motifs = ScoreType.cen_pair_motifs
cen_pair_smooth = ScoreType.cen_pair_smooth
cen_rot_cbeta = ScoreType.cen_rot_cbeta
cen_rot_dun = ScoreType.cen_rot_dun
cen_rot_env = ScoreType.cen_rot_env
cen_rot_pair = ScoreType.cen_rot_pair
cen_rot_pair_ang = ScoreType.cen_rot_pair_ang
cen_rot_pair_dih = ScoreType.cen_rot_pair_dih
cenpack = ScoreType.cenpack
cenpack_smooth = ScoreType.cenpack_smooth
ch_bond = ScoreType.ch_bond
ch_bond_bb_bb = ScoreType.ch_bond_bb_bb
ch_bond_bb_sc = ScoreType.ch_bond_bb_sc
ch_bond_sc_sc = ScoreType.ch_bond_sc_sc
chainbreak = ScoreType.chainbreak
co = ScoreType.co
coarse_beadlj = ScoreType.coarse_beadlj
coarse_chainbreak_constraint = ScoreType.coarse_chainbreak_constraint
coarse_fa_atr = ScoreType.coarse_fa_atr
coarse_fa_rep = ScoreType.coarse_fa_rep
coarse_fa_sol = ScoreType.coarse_fa_sol
constant_constraint = ScoreType.constant_constraint
coordinate_constraint = ScoreType.coordinate_constraint
csa = ScoreType.csa
custom_atom_pair = ScoreType.custom_atom_pair
d2h_sa = ScoreType.d2h_sa
dab_sasa = ScoreType.dab_sasa
dab_sev = ScoreType.dab_sev
dc = ScoreType.dc
dihedral_constraint = ScoreType.dihedral_constraint
distance_chainbreak = ScoreType.distance_chainbreak
dna_base_distance = ScoreType.dna_base_distance
dna_bb_torsion = ScoreType.dna_bb_torsion
dna_bp = ScoreType.dna_bp
dna_bs = ScoreType.dna_bs
dna_chi = ScoreType.dna_chi
dna_dihedral_bb = ScoreType.dna_dihedral_bb
dna_dihedral_chi = ScoreType.dna_dihedral_chi
dna_dihedral_sugar = ScoreType.dna_dihedral_sugar
dna_dr = ScoreType.dna_dr
dna_env = ScoreType.dna_env
dna_pair = ScoreType.dna_pair
dna_ref = ScoreType.dna_ref
dna_sugar_close = ScoreType.dna_sugar_close
dock_ens_conf = ScoreType.dock_ens_conf
dof_constraint = ScoreType.dof_constraint
dslf_ca_dih = ScoreType.dslf_ca_dih
dslf_cbs_ds = ScoreType.dslf_cbs_ds
dslf_cs_ang = ScoreType.dslf_cs_ang
dslf_fa13 = ScoreType.dslf_fa13
dslf_fa13_ref = ScoreType.dslf_fa13_ref
dslf_ss_dih = ScoreType.dslf_ss_dih
dslf_ss_dst = ScoreType.dslf_ss_dst
dslfc_RT = ScoreType.dslfc_RT
dslfc_ang = ScoreType.dslfc_ang
dslfc_bb_dih = ScoreType.dslfc_bb_dih
dslfc_cb_dih = ScoreType.dslfc_cb_dih
dslfc_cb_dst = ScoreType.dslfc_cb_dst
dslfc_cen_dst = ScoreType.dslfc_cen_dst
dslfc_rot = ScoreType.dslfc_rot
dslfc_trans = ScoreType.dslfc_trans
dummy_score_type = ScoreType.end_of_score_type_enumeration
dunbrack_constraint = ScoreType.dunbrack_constraint
e_pH = ScoreType.e_pH
elec_dens_atomwise = ScoreType.elec_dens_atomwise
elec_dens_fast = ScoreType.elec_dens_fast
elec_dens_whole_structure_allatom = ScoreType.elec_dens_whole_structure_allatom
elec_dens_whole_structure_ca = ScoreType.elec_dens_whole_structure_ca
elec_dens_window = ScoreType.elec_dens_window
end_of_score_type_enumeration = ScoreType.end_of_score_type_enumeration
env = ScoreType.env
envsmooth = ScoreType.envsmooth
fa_atr = ScoreType.fa_atr
fa_atr_dummy = ScoreType.fa_atr_dummy
fa_atr_ref = ScoreType.fa_atr_ref
fa_cust_pair_dist = ScoreType.fa_cust_pair_dist
fa_dun = ScoreType.fa_dun
fa_dun_dev = ScoreType.fa_dun_dev
fa_dun_dev_ref = ScoreType.fa_dun_dev_ref
fa_dun_ref = ScoreType.fa_dun_ref
fa_dun_rot = ScoreType.fa_dun_rot
fa_dun_rot_ref = ScoreType.fa_dun_rot_ref
fa_dun_semi = ScoreType.fa_dun_semi
fa_dun_semi_ref = ScoreType.fa_dun_semi_ref
fa_elec = ScoreType.fa_elec
fa_elec_aro_all = ScoreType.fa_elec_aro_all
fa_elec_aro_aro = ScoreType.fa_elec_aro_aro
fa_elec_bb_bb = ScoreType.fa_elec_bb_bb
fa_elec_bb_sc = ScoreType.fa_elec_bb_sc
fa_elec_ref = ScoreType.fa_elec_ref
fa_elec_rna_base_base = ScoreType.fa_elec_rna_base_base
fa_elec_rna_base_base_fast = ScoreType.fa_elec_rna_base_base_fast
fa_elec_rna_phos_base = ScoreType.fa_elec_rna_phos_base
fa_elec_rna_phos_base_fast = ScoreType.fa_elec_rna_phos_base_fast
fa_elec_rna_phos_phos = ScoreType.fa_elec_rna_phos_phos
fa_elec_rna_phos_phos_fast = ScoreType.fa_elec_rna_phos_phos_fast
fa_elec_rna_phos_sugr = ScoreType.fa_elec_rna_phos_sugr
fa_elec_rna_phos_sugr_fast = ScoreType.fa_elec_rna_phos_sugr_fast
fa_elec_rna_sugr_base = ScoreType.fa_elec_rna_sugr_base
fa_elec_rna_sugr_base_fast = ScoreType.fa_elec_rna_sugr_base_fast
fa_elec_rna_sugr_sugr = ScoreType.fa_elec_rna_sugr_sugr
fa_elec_rna_sugr_sugr_fast = ScoreType.fa_elec_rna_sugr_sugr_fast
fa_elec_sc_sc = ScoreType.fa_elec_sc_sc
fa_grpelec = ScoreType.fa_grpelec
fa_intra_RNA_base_phos_atr = ScoreType.fa_intra_RNA_base_phos_atr
fa_intra_RNA_base_phos_rep = ScoreType.fa_intra_RNA_base_phos_rep
fa_intra_RNA_base_phos_sol = ScoreType.fa_intra_RNA_base_phos_sol
fa_intra_atr = ScoreType.fa_intra_atr
fa_intra_atr_ref = ScoreType.fa_intra_atr_ref
fa_intra_atr_xover4 = ScoreType.fa_intra_atr_xover4
fa_intra_rep = ScoreType.fa_intra_rep
fa_intra_rep_ref = ScoreType.fa_intra_rep_ref
fa_intra_rep_xover4 = ScoreType.fa_intra_rep_xover4
fa_intra_sol = ScoreType.fa_intra_sol
fa_intra_sol_ref = ScoreType.fa_intra_sol_ref
fa_intra_sol_xover4 = ScoreType.fa_intra_sol_xover4
fa_mbenv = ScoreType.fa_mbenv
fa_mbsolv = ScoreType.fa_mbsolv
fa_pair = ScoreType.fa_pair
fa_pair_aro_aro = ScoreType.fa_pair_aro_aro
fa_pair_aro_pol = ScoreType.fa_pair_aro_pol
fa_pair_pol_pol = ScoreType.fa_pair_pol_pol
fa_plane = ScoreType.fa_plane
fa_rep = ScoreType.fa_rep
fa_rep_dummy = ScoreType.fa_rep_dummy
fa_rep_ref = ScoreType.fa_rep_ref
fa_sasa = ScoreType.fa_sasa
fa_sol = ScoreType.fa_sol
fa_sol_dummy = ScoreType.fa_sol_dummy
fa_sol_ref = ScoreType.fa_sol_ref
fa_stack = ScoreType.fa_stack
fa_stack_aro = ScoreType.fa_stack_aro
fa_stack_ext = ScoreType.fa_stack_ext
fa_stack_lower = ScoreType.fa_stack_lower
fa_stack_lr = ScoreType.fa_stack_lr
fa_stack_sol = ScoreType.fa_stack_sol
fa_stack_upper = ScoreType.fa_stack_upper
fa_vdw_tinker = ScoreType.fa_vdw_tinker
facts_elec = ScoreType.facts_elec
facts_sasa = ScoreType.facts_sasa
facts_solv = ScoreType.facts_solv
fastsaxs = ScoreType.fastsaxs
fiberdiffraction = ScoreType.fiberdiffraction
fiberdiffractiondens = ScoreType.fiberdiffractiondens
free_2HOprime = ScoreType.free_2HOprime
free_base = ScoreType.free_base
free_dof = ScoreType.free_dof
free_res = ScoreType.free_res
free_side_chain = ScoreType.free_side_chain
free_suite = ScoreType.free_suite
gauss = ScoreType.gauss
gb_elec = ScoreType.gb_elec
geom_sol = ScoreType.geom_sol
geom_sol_fast = ScoreType.geom_sol_fast
geom_sol_fast_intra_RNA = ScoreType.geom_sol_fast_intra_RNA
geom_sol_intra_RNA = ScoreType.geom_sol_intra_RNA
goap = ScoreType.goap
goap_angle = ScoreType.goap_angle
goap_dist = ScoreType.goap_dist
grid_vdw = ScoreType.grid_vdw
h2o_hbond = ScoreType.h2o_hbond
h2o_intra = ScoreType.h2o_intra
hack_aro = ScoreType.hack_aro
hbond = ScoreType.hbond
hbond_bb_sc = ScoreType.hbond_bb_sc
hbond_intra = ScoreType.hbond_intra
hbond_lr_bb = ScoreType.hbond_lr_bb
hbond_lr_bb_sc = ScoreType.hbond_lr_bb_sc
hbond_ref = ScoreType.hbond_ref
hbond_sc = ScoreType.hbond_sc
hbond_sr_bb = ScoreType.hbond_sr_bb
hbond_sr_bb_sc = ScoreType.hbond_sr_bb_sc
hoh_ref = ScoreType.hoh_ref
holes = ScoreType.holes
holes_decoy = ScoreType.holes_decoy
holes_min = ScoreType.holes_min
holes_min_mean = ScoreType.holes_min_mean
holes_resl = ScoreType.holes_resl
hpatch = ScoreType.hpatch
hs_pair = ScoreType.hs_pair
hybrid_vdw = ScoreType.hybrid_vdw
interchain_contact = ScoreType.interchain_contact
interchain_env = ScoreType.interchain_env
interchain_pair = ScoreType.interchain_pair
interchain_vdw = ScoreType.n_shortranged_2b_score_types
interface_dd_pair = ScoreType.interface_dd_pair
intermol = ScoreType.intermol
linear_chainbreak = ScoreType.linear_chainbreak
lk_ball = ScoreType.lk_ball
lk_ball_iso = ScoreType.lk_ball_iso
lk_ball_wtd = ScoreType.lk_ball_wtd
lk_costheta = ScoreType.lk_costheta
lk_hack = ScoreType.lk_hack
lk_nonpolar = ScoreType.lk_nonpolar
lk_nonpolar_intra_RNA = ScoreType.lk_nonpolar_intra_RNA
lk_polar = ScoreType.lk_polar
lk_polar_intra_RNA = ScoreType.lk_polar_intra_RNA
loop_close = ScoreType.loop_close
metalbinding_constraint = ScoreType.metalbinding_constraint
metalhash_constraint = ScoreType.metalhash_constraint
mg = ScoreType.mg
mg_lig = ScoreType.mg_lig
mg_ref = ScoreType.mg_ref
mg_sol = ScoreType.mg_sol
missing_res = ScoreType.missing_res
mm_bend = ScoreType.mm_bend
mm_lj_inter_atr = ScoreType.mm_lj_inter_atr
mm_lj_inter_rep = ScoreType.mm_lj_inter_rep
mm_lj_intra_atr = ScoreType.mm_lj_intra_atr
mm_lj_intra_atr_ref = ScoreType.mm_lj_intra_atr_ref
mm_lj_intra_rep = ScoreType.mm_lj_intra_rep
mm_lj_intra_rep_ref = ScoreType.mm_lj_intra_rep_ref
mm_stretch = ScoreType.mm_stretch
mm_twist = ScoreType.mm_twist
mm_twist_ref = ScoreType.mm_twist_ref
multipole_elec = ScoreType.multipole_elec
n_ci_2b_score_types = ScoreType.n_ci_2b_score_types
n_score_types = ScoreType.end_of_score_type_enumeration
n_shortranged_2b_score_types = ScoreType.n_shortranged_2b_score_types
natbias_hh = ScoreType.natbias_hh
natbias_hs = ScoreType.natbias_hs
natbias_ss = ScoreType.natbias_ss
natbias_stwist = ScoreType.natbias_stwist
neigh_count = ScoreType.neigh_count
neigh_vect = ScoreType.neigh_vect
neigh_vect_raw = ScoreType.neigh_vect_raw
nmer_pssm = ScoreType.nmer_pssm
nmer_ref = ScoreType.nmer_ref
nmer_svm = ScoreType.nmer_svm
occ_sol_exact = ScoreType.occ_sol_exact
occ_sol_fitted = ScoreType.occ_sol_fitted
occ_sol_fitted_onebody = ScoreType.occ_sol_fitted_onebody
omega = ScoreType.omega
omega_ref = ScoreType.omega_ref
orbitals_hpol_bb = ScoreType.orbitals_hpol_bb
other_pose = ScoreType.other_pose
overlap_chainbreak = ScoreType.overlap_chainbreak
p_aa = ScoreType.p_aa
p_aa_pp = ScoreType.p_aa_pp
p_aa_pp_ref = ScoreType.p_aa_pp_ref
p_aa_ss = ScoreType.p_aa_ss
pack_stat = ScoreType.pack_stat
pair = ScoreType.pair
pci_cation_pi = ScoreType.pci_cation_pi
pci_hbond = ScoreType.pci_hbond
pci_pi_pi = ScoreType.pci_pi_pi
pci_salt_bridge = ScoreType.pci_salt_bridge
pcs = ScoreType.pcs
pcs2 = ScoreType.pcs2
pcsTs1 = ScoreType.pcsTs1
pcsTs2 = ScoreType.pcsTs2
pcsTs3 = ScoreType.pcsTs3
pcsTs4 = ScoreType.pcsTs4
pddf_score = ScoreType.pddf_score
peptide_bond = ScoreType.peptide_bond
pocket_constraint = ScoreType.pocket_constraint
pro_close = ScoreType.pro_close
pro_close_ref = ScoreType.pro_close_ref
python = ScoreType.n_ci_2b_score_types
rama = ScoreType.rama
rama2b = ScoreType.rama2b
rama_prepro = ScoreType.rama_prepro
rama_ref = ScoreType.rama_ref
rdc = ScoreType.rdc
rdc_rohl = ScoreType.rdc_rohl
rdc_segments = ScoreType.rdc_segments
ref = ScoreType.ref
ref_nc = ScoreType.ref_nc
res_type_constraint = ScoreType.res_type_constraint
res_type_linking_constraint = ScoreType.res_type_linking_constraint
rg = ScoreType.rg
rg_local = ScoreType.rg_local
ring_close = ScoreType.ring_close
rms = ScoreType.rms
rna_backbone_backbone = ScoreType.rna_backbone_backbone
rna_base_axis = ScoreType.rna_base_axis
rna_base_axis_pairwise = ScoreType.rna_base_axis_pairwise
rna_base_backbone = ScoreType.rna_base_backbone
rna_base_pair = ScoreType.rna_base_pair
rna_base_pair_pairwise = ScoreType.rna_base_pair_pairwise
rna_base_stack = ScoreType.rna_base_stack
rna_base_stack_axis = ScoreType.rna_base_stack_axis
rna_base_stack_axis_pairwise = ScoreType.rna_base_stack_axis_pairwise
rna_base_stack_pairwise = ScoreType.rna_base_stack_pairwise
rna_base_stagger = ScoreType.rna_base_stagger
rna_base_stagger_pairwise = ScoreType.rna_base_stagger_pairwise
rna_bond_geometry = ScoreType.rna_bond_geometry
rna_bulge = ScoreType.rna_bulge
rna_chem_map = ScoreType.rna_chem_map
rna_chem_map_lores = ScoreType.rna_chem_map_lores
rna_chem_shift = ScoreType.rna_chem_shift
rna_data_backbone = ScoreType.rna_data_backbone
rna_data_base = ScoreType.rna_data_base
rna_fa_atr_base = ScoreType.rna_fa_atr_base
rna_fa_rep_base = ScoreType.rna_fa_rep_base
rna_jr_suite = ScoreType.rna_jr_suite
rna_mg_point = ScoreType.rna_mg_point
rna_mg_point_indirect = ScoreType.rna_mg_point_indirect
rna_repulsive = ScoreType.rna_repulsive
rna_rg = ScoreType.rna_rg
rna_sugar_close = ScoreType.rna_sugar_close
rna_suite = ScoreType.rna_suite
rna_torsion = ScoreType.rna_torsion
rna_torsion_sc = ScoreType.rna_torsion_sc
rna_vdw = ScoreType.rna_vdw
rsigma = ScoreType.rsigma
sa = ScoreType.sa
saxs_cen_score = ScoreType.saxs_cen_score
saxs_fa_score = ScoreType.saxs_fa_score
saxs_score = ScoreType.saxs_score
seqdep_ref = ScoreType.seqdep_ref
sheet = ScoreType.sheet
sidechain_neighbors = ScoreType.sidechain_neighbors
site_constraint = ScoreType.site_constraint
special_rot = ScoreType.special_rot
split_unfolded_two_body = ScoreType.split_unfolded_two_body
ss_contact_worst = ScoreType.ss_contact_worst
ss_pair = ScoreType.ss_pair
stack_elec = ScoreType.stack_elec
stack_elec_base_base = ScoreType.stack_elec_base_base
stack_elec_base_bb = ScoreType.stack_elec_base_bb
suck = ScoreType.suck
sugar_bb = ScoreType.sugar_bb
suiteness_bonus = ScoreType.suiteness_bonus
surface = ScoreType.surface
symE_bonus = ScoreType.symE_bonus
sym_lig = ScoreType.sym_lig
total_score = ScoreType.total_score
unfolded = ScoreType.unfolded
vdw = ScoreType.vdw
xtal_ml = ScoreType.xtal_ml
xtal_rfree = ScoreType.xtal_rfree
xtal_rwork = ScoreType.xtal_rwork
yhh_planarity = ScoreType.yhh_planarity

 
class ScoreTypeManager(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.ScoreTypeManager) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
is_score_type(...) from builtins.PyCapsule
is_score_type(name : str) -> bool
name_from_score_type(...) from builtins.PyCapsule
name_from_score_type(score_type : rosetta.core.scoring.ScoreType) -> str
score_type_from_name(...) from builtins.PyCapsule
score_type_from_name(name : str) -> rosetta.core.scoring.ScoreType

 
class ScoringManager(rosetta.utility.SingletonBase_core_scoring_ScoringManager_t)
    
Method resolution order:
ScoringManager
rosetta.utility.SingletonBase_core_scoring_ScoringManager_t
builtins.object

Methods defined here:
__init__(self, /, *args, **kwargs)
Initialize self.  See help(type(self)) for accurate signature.
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_memb_etable(...) from builtins.PyCapsule
add_memb_etable(self : rosetta.core.scoring.ScoringManager, name : str, etable : core::scoring::etable::MembEtable) -> NoneType
 
pba
energy_method(...) from builtins.PyCapsule
energy_method(self : rosetta.core.scoring.ScoringManager, t : rosetta.core.scoring.ScoreType, options : core::scoring::methods::EnergyMethodOptions) -> rosetta.core.scoring.methods.EnergyMethod
etable(...) from builtins.PyCapsule
etable(*args, **kwargs)
Overloaded function.
 
1. etable(self : rosetta.core.scoring.ScoringManager, options_in : core::scoring::methods::EnergyMethodOptions) -> rosetta.std.weak_ptr_const_core_scoring_etable_Etable_t
 
Request an etable specifying an EnergyMethodOptions object; internally
 this will retrieve the EtableOptions object, and invoke the EtableOptions
 version of this function.
 
2. etable(self : rosetta.core.scoring.ScoringManager, options_in : rosetta.core.scoring.etable.EtableOptions) -> rosetta.std.weak_ptr_const_core_scoring_etable_Etable_t
 
Request an etable specifying an EtableOptions; internally this will
 query the ScoringManager's map from EtableOptions to Etables for the desired
 Etable, and construct a new one if needed.
 
3. etable(self : rosetta.core.scoring.ScoringManager, etable_id : str) -> rosetta.std.weak_ptr_const_core_scoring_etable_Etable_t
 
Create and return an etable specified only by the etable_type of the
 etable::EtableOptions class.  This, internally, will create an EtableOptions object,
 initialized from the command line, set the etable_type of this object, and then
 invoke the etable( EtableOptions ) method.
factory_register(...) from builtins.PyCapsule
factory_register(self : rosetta.core.scoring.ScoringManager, creator : rosetta.core.scoring.methods.EnergyMethodCreator) -> NoneType
get_AtomVDW(...) from builtins.PyCapsule
get_AtomVDW(self : rosetta.core.scoring.ScoringManager, atom_type_set_name : str) -> rosetta.core.scoring.AtomVDW
get_CHIEnergyFunction(...) from builtins.PyCapsule
get_CHIEnergyFunction(*args, **kwargs)
Overloaded function.
 
1. get_CHIEnergyFunction(rosetta.core.scoring.ScoringManager) -> core::scoring::carbohydrates::CHIEnergyFunction
 
2. get_CHIEnergyFunction(self : rosetta.core.scoring.ScoringManager, setup_sampling_data : bool) -> core::scoring::carbohydrates::CHIEnergyFunction
 
3. get_CHIEnergyFunction(self : rosetta.core.scoring.ScoringManager, setup_sampling_data : bool, sampling_step_size : float) -> core::scoring::carbohydrates::CHIEnergyFunction
get_CarbonHBondPotential(...) from builtins.PyCapsule
get_CarbonHBondPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::carbon_hbonds::CarbonHBondPotential
get_CenHBPotential(...) from builtins.PyCapsule
get_CenHBPotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.CenHBPotential
get_CenRotEnvPairPotential(...) from builtins.PyCapsule
get_CenRotEnvPairPotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.CenRotEnvPairPotential
get_CentroidDisulfidePotential(...) from builtins.PyCapsule
get_CentroidDisulfidePotential(rosetta.core.scoring.ScoringManager) -> core::scoring::disulfides::CentroidDisulfidePotential
get_DDPLookupTable(...) from builtins.PyCapsule
get_DDPLookupTable(rosetta.core.scoring.ScoringManager) -> core::scoring::interface_::DDPlookup
get_DNABFormPotential(...) from builtins.PyCapsule
get_DNABFormPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::dna::DNABFormPotential
get_DNATorsionPotential(...) from builtins.PyCapsule
get_DNATorsionPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::dna::DNATorsionPotential
get_DNA_BasePotential(...) from builtins.PyCapsule
get_DNA_BasePotential(rosetta.core.scoring.ScoringManager) -> core::scoring::dna::DNA_BasePotential
get_DNA_DihedralPotential(...) from builtins.PyCapsule
get_DNA_DihedralPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::dna::DNA_DihedralPotential
get_DNA_EnvPairPotential(...) from builtins.PyCapsule
get_DNA_EnvPairPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::dna::DNA_EnvPairPotential
get_DatabaseOccSolEne(...) from builtins.PyCapsule
get_DatabaseOccSolEne(self : rosetta.core.scoring.ScoringManager, atom_type_set_name : str, min_occ_energy : float) -> core::scoring::geometric_solvation::DatabaseOccSolEne
get_DirectReadoutPotential(...) from builtins.PyCapsule
get_DirectReadoutPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::dna::DirectReadoutPotential
get_DisulfideMatchingPotential(...) from builtins.PyCapsule
get_DisulfideMatchingPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::disulfides::DisulfideMatchingPotential
get_EnvPairPotential(...) from builtins.PyCapsule
get_EnvPairPotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.EnvPairPotential
get_FACTSPotential(...) from builtins.PyCapsule
get_FACTSPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::FACTSPotential
get_FullatomDisulfidePotential(...) from builtins.PyCapsule
get_FullatomDisulfidePotential(rosetta.core.scoring.ScoringManager) -> core::scoring::disulfides::FullatomDisulfidePotential
get_GenBornPotential(...) from builtins.PyCapsule
get_GenBornPotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.GenBornPotential
get_MMBondAngleLibrary(...) from builtins.PyCapsule
get_MMBondAngleLibrary(rosetta.core.scoring.ScoringManager) -> core::scoring::mm::MMBondAngleLibrary
get_MMBondLengthLibrary(...) from builtins.PyCapsule
get_MMBondLengthLibrary(rosetta.core.scoring.ScoringManager) -> core::scoring::mm::MMBondLengthLibrary
get_MMLJEnergyTable(...) from builtins.PyCapsule
get_MMLJEnergyTable(rosetta.core.scoring.ScoringManager) -> core::scoring::mm::MMLJEnergyTable
get_MMLJLibrary(...) from builtins.PyCapsule
get_MMLJLibrary(rosetta.core.scoring.ScoringManager) -> core::scoring::mm::MMLJLibrary
get_MMTorsionLibrary(...) from builtins.PyCapsule
get_MMTorsionLibrary(rosetta.core.scoring.ScoringManager) -> core::scoring::mm::MMTorsionLibrary
get_MembraneData(...) from builtins.PyCapsule
get_MembraneData(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.membrane.MembraneData
get_MembranePotential(...) from builtins.PyCapsule
get_MembranePotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.MembranePotential
get_Membrane_FAPotential(...) from builtins.PyCapsule
get_Membrane_FAPotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.Membrane_FAPotential
get_MultipoleElecPotential(...) from builtins.PyCapsule
get_MultipoleElecPotential(self : rosetta.core.scoring.ScoringManager, options : core::scoring::methods::EnergyMethodOptions) -> rosetta.core.scoring.MultipoleElecPotential
get_NVLookupTable(...) from builtins.PyCapsule
get_NVLookupTable(rosetta.core.scoring.ScoringManager) -> core::scoring::nv::NVlookup
get_OmegaTether(...) from builtins.PyCapsule
get_OmegaTether(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.OmegaTether
get_OrbitalsLookupTable(...) from builtins.PyCapsule
get_OrbitalsLookupTable(rosetta.core.scoring.ScoringManager) -> core::scoring::orbitals::OrbitalsLookup
get_P_AA(...) from builtins.PyCapsule
get_P_AA(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.P_AA
get_P_AA_ss(...) from builtins.PyCapsule
get_P_AA_ss(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.P_AA_ss
get_PairEPotential(...) from builtins.PyCapsule
get_PairEPotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.PairEPotential
get_PoissonBoltzmannPotential(...) from builtins.PyCapsule
get_PoissonBoltzmannPotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.PoissonBoltzmannPotential
get_ProQPotential(...) from builtins.PyCapsule
get_ProQPotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.ProQPotential
get_RNA_AtomVDW(...) from builtins.PyCapsule
get_RNA_AtomVDW(rosetta.core.scoring.ScoringManager) -> core::scoring::rna::RNA_AtomVDW
get_RNA_ChemicalShiftPotential(...) from builtins.PyCapsule
get_RNA_ChemicalShiftPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::rna::chemical_shift::RNA_ChemicalShiftPotential
get_RNA_DMS_LowResolutionPotential(...) from builtins.PyCapsule
get_RNA_DMS_LowResolutionPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::rna::data::RNA_DMS_LowResolutionPotential
get_RNA_DMS_Potential(...) from builtins.PyCapsule
get_RNA_DMS_Potential(rosetta.core.scoring.ScoringManager) -> core::scoring::rna::data::RNA_DMS_Potential
get_RNA_LowResolutionPotential(...) from builtins.PyCapsule
get_RNA_LowResolutionPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::rna::RNA_LowResolutionPotential
get_RamaPrePro(...) from builtins.PyCapsule
get_RamaPrePro(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.RamaPrePro
 
RotamerLibrary & get_RotamerLibrary() const;
get_Ramachandran(...) from builtins.PyCapsule
get_Ramachandran(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.Ramachandran
get_Ramachandran2B(...) from builtins.PyCapsule
get_Ramachandran2B(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.Ramachandran2B
get_Ramachandran2B_ptr(...) from builtins.PyCapsule
get_Ramachandran2B_ptr(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.Ramachandran2B
get_Ramachandran_nonconst(...) from builtins.PyCapsule
get_Ramachandran_nonconst(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.Ramachandran
 
Get a non-const reference to the Ramachandran object.
 
 
 Warning!  Probably not threadsafe!  Needed, though, for
 lazy loading.
get_Ramachandran_ptr(...) from builtins.PyCapsule
get_Ramachandran_ptr(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.Ramachandran
get_Ramachandran_ptr_nonconst(...) from builtins.PyCapsule
get_Ramachandran_ptr_nonconst(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.Ramachandran
 
Get a non-const owning pointer to the Ramachandran object.
 
 
 Warning!  Probably not threadsafe!  Needed, though, for
 lazy loading.
get_SASAPotential(...) from builtins.PyCapsule
get_SASAPotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.SASAPotential
get_SecondaryStructurePotential(...) from builtins.PyCapsule
get_SecondaryStructurePotential(rosetta.core.scoring.ScoringManager) -> core::scoring::SecondaryStructurePotential
get_SmoothEnvPairPotential(...) from builtins.PyCapsule
get_SmoothEnvPairPotential(rosetta.core.scoring.ScoringManager) -> rosetta.core.scoring.SmoothEnvPairPotential
get_SplitUnfoldedTwoBodyPotential(...) from builtins.PyCapsule
get_SplitUnfoldedTwoBodyPotential(self : rosetta.core.scoring.ScoringManager, label_type : str, value_type : str, score_func_type : str) -> core::scoring::SplitUnfoldedTwoBodyPotential
get_UnfoldedStatePotential(...) from builtins.PyCapsule
get_UnfoldedStatePotential(self : rosetta.core.scoring.ScoringManager, type : str) -> core::scoring::UnfoldedStatePotential
get_VdWTinkerPotential(...) from builtins.PyCapsule
get_VdWTinkerPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::VdWTinkerPotential
get_WaterAdductHBondPotential(...) from builtins.PyCapsule
get_WaterAdductHBondPotential(rosetta.core.scoring.ScoringManager) -> core::scoring::WaterAdductHBondPotential
get_cloned_aa_comp_setup_helpers(...) from builtins.PyCapsule
get_cloned_aa_comp_setup_helpers(self : rosetta.core.scoring.ScoringManager, options : core::scoring::methods::EnergyMethodOptions) -> rosetta.utility.vector1_std_shared_ptr_core_scoring_aa_composition_energy_AACompositionEnergySetup_t
 
Get a vector of owning pointers to data used by the AACompositionEnergy score term.
 
 
 If this vector has not yet been populated, this loads the data from disk (lazy loading).  NOT THREADSAFE.
 
 
 Vikram K. Mulligan (vmullig.edu).
get_cp_rep_map_byname(...) from builtins.PyCapsule
get_cp_rep_map_byname(rosetta.core.scoring.ScoringManager) -> rosetta.std.map_std_string_std_map_std_string_std_string_std_less_std_string_std_allocator_std_pair_const_std_string_std_string_t
 
Get an owning pointer to data used by the FA_ElecEnergy in beta_nov15 mode.
 
 
 If the data have not been loaded, this loads the data (lazy loading).  NOT THREADSAFE.
 
 
 Vikram K. Mulligan (vmullig.edu).
has_energy_method(...) from builtins.PyCapsule
has_energy_method(self : rosetta.core.scoring.ScoringManager, t : rosetta.core.scoring.ScoreType) -> bool
make_partially_soft_etable(...) from builtins.PyCapsule
make_partially_soft_etable(self : rosetta.core.scoring.ScoringManager, name : str, etable_options : rosetta.core.scoring.etable.EtableOptions) -> core::scoring::etable::Etable
 
make etable for extra partially softies
memb_etable(...) from builtins.PyCapsule
memb_etable(self : rosetta.core.scoring.ScoringManager, table_id : str) -> rosetta.std.weak_ptr_const_core_scoring_etable_MembEtable_t
 
pba

Methods inherited from rosetta.utility.SingletonBase_core_scoring_ScoringManager_t:
get_instance(...) from builtins.PyCapsule
get_instance() -> core::scoring::ScoringManager

 
class SecondaryStructurePotential(builtins.object)
    secondary structure scoring cut from classic rosetta structure.h/structure.cc
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.SecondaryStructurePotential) -> NoneType
 
2. __init__(self : rosetta.core.scoring.SecondaryStructurePotential,  : rosetta.core.scoring.SecondaryStructurePotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
rsigma_dot_initializer(...) from builtins.PyCapsule
rsigma_dot_initializer(rsigma_dot : ObjexxFCL::FArray4D<double>) -> NoneType
score(...) from builtins.PyCapsule
score(self : rosetta.core.scoring.SecondaryStructurePotential, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.SecondaryStructureWeights, hs_score : float, ss_score : float, rsigma_score : float, sheet_score : float) -> NoneType
 
score secondary structure
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.SecondaryStructurePotential, pose : rosetta.core.pose.Pose) -> NoneType

 
class SecondaryStructureWeights(builtins.object)
    Holds weights and flags for configuring a SecondaryStructureEnergy evaluation
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.SecondaryStructureWeights) -> NoneType
 
2. __init__(self : rosetta.core.scoring.SecondaryStructureWeights, s : rosetta.core.scoring.SecondaryStructureWeights) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.SecondaryStructureWeights, s : rosetta.core.scoring.SecondaryStructureWeights) -> rosetta.core.scoring.SecondaryStructureWeights
 
copy assignment
get_antiparallel_weight(...) from builtins.PyCapsule
get_antiparallel_weight(rosetta.core.scoring.SecondaryStructureWeights) -> float
 
antiparallel strand weight
get_handedness_score_flag(...) from builtins.PyCapsule
get_handedness_score_flag(rosetta.core.scoring.SecondaryStructureWeights) -> bool
 
using handedness score?
get_localstrandpair_penalty(...) from builtins.PyCapsule
get_localstrandpair_penalty(rosetta.core.scoring.SecondaryStructureWeights) -> float
 
local strand pair penalty
get_max_strand_dist_cutoff(...) from builtins.PyCapsule
get_max_strand_dist_cutoff(rosetta.core.scoring.SecondaryStructureWeights) -> float
 
max strand distance cutoff
get_parallel_weight(...) from builtins.PyCapsule
get_parallel_weight(rosetta.core.scoring.SecondaryStructureWeights) -> float
 
parallel strand weight
get_seq_sep_scale(...) from builtins.PyCapsule
get_seq_sep_scale(rosetta.core.scoring.SecondaryStructureWeights) -> float
 
sequence separation scale
get_ss_cutoff(...) from builtins.PyCapsule
get_ss_cutoff(rosetta.core.scoring.SecondaryStructureWeights) -> int
get_ss_lowstrand(...) from builtins.PyCapsule
get_ss_lowstrand(rosetta.core.scoring.SecondaryStructureWeights) -> int
get_strand_dist_cutoff(...) from builtins.PyCapsule
get_strand_dist_cutoff(rosetta.core.scoring.SecondaryStructureWeights) -> float
 
strand distance cutoff
get_stretch_strand_dist_cutoff(...) from builtins.PyCapsule
get_stretch_strand_dist_cutoff(rosetta.core.scoring.SecondaryStructureWeights) -> bool
 
stretching the strand distance cutoff?
set_antiparallel_weight(...) from builtins.PyCapsule
set_antiparallel_weight(self : rosetta.core.scoring.SecondaryStructureWeights, weight : float) -> NoneType
 
set antiparallel strand weight
set_handedness_score_flag(...) from builtins.PyCapsule
set_handedness_score_flag(self : rosetta.core.scoring.SecondaryStructureWeights, flag : bool) -> NoneType
 
use the handedness score
set_localstrandpair_penalty(...) from builtins.PyCapsule
set_localstrandpair_penalty(self : rosetta.core.scoring.SecondaryStructureWeights, penalty : float) -> NoneType
 
set local strand pair penalty
set_max_strand_dist_cutoff(...) from builtins.PyCapsule
set_max_strand_dist_cutoff(self : rosetta.core.scoring.SecondaryStructureWeights, cutoff : float) -> NoneType
 
set max strand distance cutoff
set_parallel_weight(...) from builtins.PyCapsule
set_parallel_weight(self : rosetta.core.scoring.SecondaryStructureWeights, weight : float) -> NoneType
 
set parallel strand weight
set_seq_sep_scale(...) from builtins.PyCapsule
set_seq_sep_scale(self : rosetta.core.scoring.SecondaryStructureWeights, scale : float) -> NoneType
 
set sequence separation scale
set_ss_cutoff(...) from builtins.PyCapsule
set_ss_cutoff(self : rosetta.core.scoring.SecondaryStructureWeights, setting : int) -> NoneType
set_ss_lowstrand(...) from builtins.PyCapsule
set_ss_lowstrand(self : rosetta.core.scoring.SecondaryStructureWeights, setting : int) -> NoneType
set_strand_dist_cutoff(...) from builtins.PyCapsule
set_strand_dist_cutoff(self : rosetta.core.scoring.SecondaryStructureWeights, cutoff : float) -> NoneType
 
set strand distance cutoff
set_stretch_strand_dist_cutoff(...) from builtins.PyCapsule
set_stretch_strand_dist_cutoff(self : rosetta.core.scoring.SecondaryStructureWeights, flag : bool) -> NoneType
 
stretch the strand distance cutoff
setup_parallel_antiparallel_weights(...) from builtins.PyCapsule
setup_parallel_antiparallel_weights(*args, **kwargs)
Overloaded function.
 
1. setup_parallel_antiparallel_weights(rosetta.core.scoring.SecondaryStructureWeights) -> NoneType
 
setup parallel/antiparallel weights according to scheme
 
2. setup_parallel_antiparallel_weights(self : rosetta.core.scoring.SecondaryStructureWeights, randomize_weights : bool) -> NoneType
 
setup parallel/antiparallel weights according to scheme

 
class SelectedResPredicate(Predicate)
    
Method resolution order:
SelectedResPredicate
Predicate
builtins.object

Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.core.scoring.SelectedResPredicate, pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
__init__(...) from builtins.PyCapsule
__init__(self : handle, selected : rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t, predicate : rosetta.core.scoring.Predicate) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.SelectedResPredicate,  : rosetta.core.scoring.SelectedResPredicate) -> rosetta.core.scoring.SelectedResPredicate

 
class SmallAtNb(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : rosetta.core.scoring.SmallAtNb, at1 : int, at2 : int, path_dist : int, weight : float) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
atomno1(...) from builtins.PyCapsule
atomno1(rosetta.core.scoring.SmallAtNb) -> int
atomno2(...) from builtins.PyCapsule
atomno2(rosetta.core.scoring.SmallAtNb) -> int
path_dist(...) from builtins.PyCapsule
path_dist(rosetta.core.scoring.SmallAtNb) -> int
weight(...) from builtins.PyCapsule
weight(rosetta.core.scoring.SmallAtNb) -> float

 
class SmoothEnvPairPotential(builtins.object)
    /////////////////////
/////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.SmoothEnvPairPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.SmoothEnvPairPotential,  : rosetta.core.scoring.SmoothEnvPairPotential) -> rosetta.core.scoring.SmoothEnvPairPotential
compute_centroid_environment(...) from builtins.PyCapsule
compute_centroid_environment(self : rosetta.core.scoring.SmoothEnvPairPotential, pose : rosetta.core.pose.Pose) -> NoneType
compute_dcentroid_environment(...) from builtins.PyCapsule
compute_dcentroid_environment(self : rosetta.core.scoring.SmoothEnvPairPotential, pose : rosetta.core.pose.Pose) -> NoneType
evaluate_env_and_cbeta_deriv(...) from builtins.PyCapsule
evaluate_env_and_cbeta_deriv(self : rosetta.core.scoring.SmoothEnvPairPotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, d_env_score : rosetta.numeric.xyzVector_double_t, d_cb_score6 : rosetta.numeric.xyzVector_double_t, d_cb_score12 : rosetta.numeric.xyzVector_double_t) -> NoneType
evaluate_env_and_cbeta_scores(...) from builtins.PyCapsule
evaluate_env_and_cbeta_scores(self : rosetta.core.scoring.SmoothEnvPairPotential, pose : rosetta.core.pose.Pose, rsd : rosetta.core.conformation.Residue, env_score : float, cb_score6 : float, cb_score12 : float) -> NoneType
evaluate_pair_and_cenpack_deriv(...) from builtins.PyCapsule
evaluate_pair_and_cenpack_deriv(self : rosetta.core.scoring.SmoothEnvPairPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, cendist : float, d_pair : float, d_cenpack : float) -> NoneType
evaluate_pair_and_cenpack_score(...) from builtins.PyCapsule
evaluate_pair_and_cenpack_score(self : rosetta.core.scoring.SmoothEnvPairPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, cendist : float, pair_contribution : float, cenpack_contribution : float) -> NoneType
finalize(...) from builtins.PyCapsule
finalize(self : rosetta.core.scoring.SmoothEnvPairPotential, pose : rosetta.core.pose.Pose) -> NoneType

 
class SmoothScoreTermCoeffs(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.SmoothScoreTermCoeffs) -> NoneType
 
2. __init__(self : rosetta.core.scoring.SmoothScoreTermCoeffs,  : rosetta.core.scoring.SmoothScoreTermCoeffs) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_gaussian(...) from builtins.PyCapsule
add_gaussian(self : rosetta.core.scoring.SmoothScoreTermCoeffs, g_in : rosetta.numeric.xyzVector_double_t) -> NoneType
add_sigmoid(...) from builtins.PyCapsule
add_sigmoid(self : rosetta.core.scoring.SmoothScoreTermCoeffs, s_in : rosetta.numeric.xyzVector_double_t) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.SmoothScoreTermCoeffs,  : rosetta.core.scoring.SmoothScoreTermCoeffs) -> rosetta.core.scoring.SmoothScoreTermCoeffs
clear(...) from builtins.PyCapsule
clear(rosetta.core.scoring.SmoothScoreTermCoeffs) -> NoneType
dfunc(...) from builtins.PyCapsule
dfunc(self : rosetta.core.scoring.SmoothScoreTermCoeffs, x : float) -> float
func(...) from builtins.PyCapsule
func(self : rosetta.core.scoring.SmoothScoreTermCoeffs, x : float) -> float
gaussian(...) from builtins.PyCapsule
gaussian(self : rosetta.core.scoring.SmoothScoreTermCoeffs, i : int) -> rosetta.numeric.xyzVector_double_t
ngaussians(...) from builtins.PyCapsule
ngaussians(rosetta.core.scoring.SmoothScoreTermCoeffs) -> int
nsigmoids(...) from builtins.PyCapsule
nsigmoids(rosetta.core.scoring.SmoothScoreTermCoeffs) -> int
shift(...) from builtins.PyCapsule
shift(*args, **kwargs)
Overloaded function.
 
1. shift(self : rosetta.core.scoring.SmoothScoreTermCoeffs, s_in : float) -> NoneType
 
2. shift(rosetta.core.scoring.SmoothScoreTermCoeffs) -> float
sigmoid(...) from builtins.PyCapsule
sigmoid(self : rosetta.core.scoring.SmoothScoreTermCoeffs, i : int) -> rosetta.numeric.xyzVector_double_t

 
class SplitUnfoldedTwoBodyPotential(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.core.scoring.SplitUnfoldedTwoBodyPotential, filename : str) -> NoneType
 
2. __init__(self : rosetta.core.scoring.SplitUnfoldedTwoBodyPotential, filename : str, atom_type_label_name : str) -> NoneType
 
3. __init__(self : rosetta.core.scoring.SplitUnfoldedTwoBodyPotential,  : rosetta.core.scoring.SplitUnfoldedTwoBodyPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.SplitUnfoldedTwoBodyPotential,  : rosetta.core.scoring.SplitUnfoldedTwoBodyPotential) -> rosetta.core.scoring.SplitUnfoldedTwoBodyPotential
get_restype_emap(...) from builtins.PyCapsule
get_restype_emap(self : rosetta.core.scoring.SplitUnfoldedTwoBodyPotential, restype : rosetta.core.chemical.ResidueType, emap : rosetta.core.scoring.EMapVector) -> NoneType
get_weights(...) from builtins.PyCapsule
get_weights(rosetta.core.scoring.SplitUnfoldedTwoBodyPotential) -> rosetta.core.scoring.EMapVector

 
class Strands(builtins.object)
    ///////////////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.Strands) -> NoneType
 
2. __init__(self : rosetta.core.scoring.Strands, total_residue : int) -> NoneType
 
3. __init__(self : rosetta.core.scoring.Strands, s : rosetta.core.scoring.Strands) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.core.scoring.Strands) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.Strands, s : rosetta.core.scoring.Strands) -> rosetta.core.scoring.Strands
 
copy assignment
clear(...) from builtins.PyCapsule
clear(rosetta.core.scoring.Strands) -> NoneType
resize(...) from builtins.PyCapsule
resize(self : rosetta.core.scoring.Strands, nres : int) -> NoneType

Data descriptors defined here:
SS_dimer
SS_resnum
SS_strand
SS_strand_end
dimer_neighbor
total_SS_dimer
total_strands

 
class TMscore(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : rosetta.core.scoring.TMscore, p1 : ObjexxFCL::FArray2D<double>) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
apply(...) from builtins.PyCapsule
apply(*args, **kwargs)
Overloaded function.
 
1. apply(self : rosetta.core.scoring.TMscore, p2 : ObjexxFCL::FArray2D<double>) -> NoneType
 
2. apply(self : rosetta.core.scoring.TMscore, p2 : ObjexxFCL::FArray2D<double>, u : rosetta.utility.vector0_numeric_xyzVector_double_t, t : rosetta.numeric.xyzVector_double_t, get_ut : bool) -> NoneType
get_GDTHA(...) from builtins.PyCapsule
get_GDTHA(rosetta.core.scoring.TMscore) -> float
get_GDTTS(...) from builtins.PyCapsule
get_GDTTS(rosetta.core.scoring.TMscore) -> float
get_TMscore(...) from builtins.PyCapsule
get_TMscore(rosetta.core.scoring.TMscore) -> float

 
class TMscoreStore(builtins.object)
    /////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.TMscoreStore) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_residue_dis(...) from builtins.PyCapsule
add_residue_dis(self : rosetta.core.scoring.TMscoreStore, d0 : float, dis : float) -> NoneType
apply(...) from builtins.PyCapsule
apply(rosetta.core.scoring.TMscoreStore) -> NoneType
clear(...) from builtins.PyCapsule
clear(rosetta.core.scoring.TMscoreStore) -> NoneType
set_nseq(...) from builtins.PyCapsule
set_nseq(self : rosetta.core.scoring.TMscoreStore, nseq : int) -> NoneType
update(...) from builtins.PyCapsule
update(rosetta.core.scoring.TMscoreStore) -> NoneType

Data descriptors defined here:
GDTHA
GDTTS
TM
TM10
TM10_max
TM_max
TM_sum
TM_sum10
maxsub
maxsub_max
maxsub_sum
n_GDT05
n_GDT05_max
n_GDT1
n_GDT1_max
n_GDT2
n_GDT2_max
n_GDT4
n_GDT4_max
n_GDT8
n_GDT8_max
n_cut
nseq_
nseq_ref_

 
class TenANeighborEdge(rosetta.core.graph.Edge)
    
Method resolution order:
TenANeighborEdge
rosetta.core.graph.Edge
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle, owner : rosetta.core.graph.Graph, first_node_ind : int, second_node_ind : int) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
copy_from(...) from builtins.PyCapsule
copy_from(self : rosetta.core.scoring.TenANeighborEdge, source : rosetta.core.graph.Edge) -> NoneType
count_dynamic_memory(...) from builtins.PyCapsule
count_dynamic_memory(rosetta.core.scoring.TenANeighborEdge) -> int
count_static_memory(...) from builtins.PyCapsule
count_static_memory(rosetta.core.scoring.TenANeighborEdge) -> int

Methods inherited from rosetta.core.graph.Edge:
get_first_node_ind(...) from builtins.PyCapsule
get_first_node_ind(rosetta.core.graph.Edge) -> int
 
returns the index of the lower node
get_other_ind(...) from builtins.PyCapsule
get_other_ind(self : rosetta.core.graph.Edge, node_index : int) -> int
 
returns the index of the one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
get_other_node(...) from builtins.PyCapsule
get_other_node(*args, **kwargs)
Overloaded function.
 
1. get_other_node(self : rosetta.core.graph.Edge, node_index : int) -> rosetta.core.graph.Node
 
returns a const pointer to one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
 
2. get_other_node(self : rosetta.core.graph.Edge, node_index : int) -> rosetta.core.graph.Node
 
returns a non-const pointer to one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
get_second_node_ind(...) from builtins.PyCapsule
get_second_node_ind(rosetta.core.graph.Edge) -> int
 
returns the index of the upper node
is_loop(...) from builtins.PyCapsule
is_loop(rosetta.core.graph.Edge) -> bool
 
Is this edge a loop? In Pseudographs, loop edges are incident twice on a single vertex.
same_edge(...) from builtins.PyCapsule
same_edge(self : rosetta.core.graph.Edge, node1 : int, node2 : int) -> bool
 
Is this the same edge as another edge (node1,node2)?  Note:
 this graph does not work for multi-graphs.  Edges must be unique.
set_pos_in_owners_list(...) from builtins.PyCapsule
set_pos_in_owners_list(self : rosetta.core.graph.Edge, edge_iterator : rosetta.core.graph.EdgeListIterator) -> NoneType
 
called only by class Graph, this function gives the Edge the data it needs
 to later delete itself from its owner's edge list in constant time.

 
class TenANeighborGraph(ContextGraph)
    
Method resolution order:
TenANeighborGraph
ContextGraph
rosetta.core.graph.Graph
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(self : handle, num_nodes : int) -> NoneType
 
3. __init__(handle, rosetta.core.scoring.TenANeighborGraph) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.TenANeighborGraph, source : rosetta.core.scoring.TenANeighborGraph) -> rosetta.core.scoring.TenANeighborGraph
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.TenANeighborGraph) -> rosetta.core.scoring.ContextGraph
conditionally_add_edge(...) from builtins.PyCapsule
conditionally_add_edge(self : rosetta.core.scoring.TenANeighborGraph, lower_node_id : int, upper_node_id : int, dsq : float) -> NoneType
delete_edge(...) from builtins.PyCapsule
delete_edge(self : rosetta.core.scoring.TenANeighborGraph, edge : rosetta.core.graph.Edge) -> NoneType
neighbor_cutoff(...) from builtins.PyCapsule
neighbor_cutoff(rosetta.core.scoring.TenANeighborGraph) -> float
update_from_pose(...) from builtins.PyCapsule
update_from_pose(self : rosetta.core.scoring.TenANeighborGraph, pose : rosetta.core.pose.Pose) -> NoneType

Methods inherited from rosetta.core.graph.Graph:
add_edge(...) from builtins.PyCapsule
add_edge(*args, **kwargs)
Overloaded function.
 
1. add_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
add an edge between two vertices.  Invokes "create_edge" from the derived class.
 Returns a pointer to the edge after its been added, allowing the calling function
 to immediately set data for this edge.
 
2. add_edge(self : rosetta.core.graph.Graph, example_edge : rosetta.core.graph.Edge) -> rosetta.core.graph.Edge
 
add an edge to this graph copying the data from an edge in another graph.
 Returns a pointer to the edge after its been added, allowing the calling function
 to immediately set data for this edge.
all_pairs_shortest_paths(...) from builtins.PyCapsule
all_pairs_shortest_paths(rosetta.core.graph.Graph) -> ObjexxFCL::FArray2D<int>
 
O(V^3).  Computes all pairs shortest paths using Warshall's algorithm
 and writes all the path distances to the two-dimensional table.
const_edge_list_begin(...) from builtins.PyCapsule
const_edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
const_edge_list_end(...) from builtins.PyCapsule
const_edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
copy_connectivity(...) from builtins.PyCapsule
copy_connectivity(self : rosetta.core.graph.Graph, source : rosetta.core.graph.Graph) -> NoneType
 
copy the edge connectivity from a source graph with a potentially
 unknown type.
drop_all_edges(...) from builtins.PyCapsule
drop_all_edges(rosetta.core.graph.Graph) -> NoneType
 
delete all the edges present in the graph
drop_all_edges_for_node(...) from builtins.PyCapsule
drop_all_edges_for_node(self : rosetta.core.graph.Graph, node : int) -> NoneType
 
delete all the edges for a single vertex in the graph
edge_list_begin(...) from builtins.PyCapsule
edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
edge_list_end(...) from builtins.PyCapsule
edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
find_edge(...) from builtins.PyCapsule
find_edge(*args, **kwargs)
Overloaded function.
 
1. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
returns a pointer to the edge connecting nodes node1 and node2, if that edge exists
 in the graph, o.w. returns 0.  Focuses the graph on this edge for fast subsequent retrieval.
 
2. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
returns a const pointer to the edge connecting nodes node1 and node2, if that edge exists
 in the graph, o.w. returns 0.  Focuses the graph on this edge for fast subsequent retrieval.
focused_edge(...) from builtins.PyCapsule
focused_edge(*args, **kwargs)
Overloaded function.
 
1. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
 
returns a pointer to the focused edge
 
2. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
 
returns a const-pointer to the focused edge
getTotalMemoryUsage(...) from builtins.PyCapsule
getTotalMemoryUsage(rosetta.core.graph.Graph) -> int
 
returns a count of all the memory used by every vertex and edge in a graph
 by invoking the polymorphic count_static_memory and count_dynamic_memory of each
 (possibly derived) node and edge object as well as for the (possibly derived) graph
 class.
get_edge_exists(...) from builtins.PyCapsule
get_edge_exists(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> bool
 
is an edge already present in the graph? O(V) worst case.  O(1) iff all vertices have O(1) edges
get_node(...) from builtins.PyCapsule
get_node(*args, **kwargs)
Overloaded function.
 
1. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
 
2. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
 
self pointers
 
2. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
num_edges(...) from builtins.PyCapsule
num_edges(rosetta.core.graph.Graph) -> int
num_nodes(...) from builtins.PyCapsule
num_nodes(rosetta.core.graph.Graph) -> int
 
the number of nodes in the graph
print_vertices(...) from builtins.PyCapsule
print_vertices(rosetta.core.graph.Graph) -> NoneType
 
send summary information to the screen for all vertices in the graph
set_num_nodes(...) from builtins.PyCapsule
set_num_nodes(self : rosetta.core.graph.Graph, num_nodes : int) -> NoneType
 
set the number of nodes in the graph -- deletes any existing edges in the graph

 
class TenANeighborNode(rosetta.core.graph.Node)
    
Method resolution order:
TenANeighborNode
rosetta.core.graph.Node
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle,  : rosetta.core.graph.Graph, node_id : int) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_neighbors_mass(...) from builtins.PyCapsule
add_neighbors_mass(self : rosetta.core.scoring.TenANeighborNode, neighbors_mass : float) -> NoneType
 
To be called by TenANeighborEdge only
 called at the time of edge addition
copy_from(...) from builtins.PyCapsule
copy_from(self : rosetta.core.scoring.TenANeighborNode, source : rosetta.core.graph.Node) -> NoneType
count_dynamic_memory(...) from builtins.PyCapsule
count_dynamic_memory(rosetta.core.scoring.TenANeighborNode) -> int
count_static_memory(...) from builtins.PyCapsule
count_static_memory(rosetta.core.scoring.TenANeighborNode) -> int
neighbor_mass(...) from builtins.PyCapsule
neighbor_mass(*args, **kwargs)
Overloaded function.
 
1. neighbor_mass(self : rosetta.core.scoring.TenANeighborNode, mass : float) -> NoneType
 
set the neighbor mass for a vertex
 
2. neighbor_mass(rosetta.core.scoring.TenANeighborNode) -> float
 
return the neighbor mass for a vertex
subtract_neighbors_mass(...) from builtins.PyCapsule
subtract_neighbors_mass(self : rosetta.core.scoring.TenANeighborNode, neighbors_mass : float) -> NoneType
 
To be called by TenANeighborEdge only
 called at the time of edge deletion
sum_of_neighbors_masses(...) from builtins.PyCapsule
sum_of_neighbors_masses(rosetta.core.scoring.TenANeighborNode) -> float

Methods inherited from rosetta.core.graph.Node:
add_edge(...) from builtins.PyCapsule
add_edge(self : rosetta.core.graph.Node, edge_ptr : core::graph::Edge,  : rosetta.core.graph.EdgeListIterator) -> NoneType
 
adds edge pointer to edge list; returns an iterator to the new
 list element
const_edge_list_begin(...) from builtins.PyCapsule
const_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its edge list
const_edge_list_end(...) from builtins.PyCapsule
const_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its edge list
const_lower_edge_list_begin(...) from builtins.PyCapsule
const_lower_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its lower-edge list
const_lower_edge_list_end(...) from builtins.PyCapsule
const_lower_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its lower-edge list
const_upper_edge_list_begin(...) from builtins.PyCapsule
const_upper_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its upper-edge list
const_upper_edge_list_end(...) from builtins.PyCapsule
const_upper_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its upper-edge list
drop_all_edges(...) from builtins.PyCapsule
drop_all_edges(rosetta.core.graph.Node) -> NoneType
 
deletes all edges incident upon this node
drop_edge(...) from builtins.PyCapsule
drop_edge(self : rosetta.core.graph.Node, edge_iterator : rosetta.core.graph.EdgeListIterator) -> NoneType
 
removes an edge iterator from the node's edge list.  Only called by Edge class.
edge_list_begin(...) from builtins.PyCapsule
edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its edge list
edge_list_end(...) from builtins.PyCapsule
edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its edge list
find_edge(...) from builtins.PyCapsule
find_edge(*args, **kwargs)
Overloaded function.
 
1. find_edge(self : rosetta.core.graph.Node, other_node_index : int) -> core::graph::Edge
 
a "slow" (linear) search for an edge.
 
2. find_edge(self : rosetta.core.graph.Node, other_node_index : int) -> core::graph::Edge
get_node_index(...) from builtins.PyCapsule
get_node_index(rosetta.core.graph.Node) -> int
 
the index for this node
get_num_edges_to_larger_indexed_nodes(...) from builtins.PyCapsule
get_num_edges_to_larger_indexed_nodes(rosetta.core.graph.Node) -> int
 
the number of upper neighbors -- which "self" neighborness is counted if a loop edge
 is present
get_num_edges_to_smaller_indexed_nodes(...) from builtins.PyCapsule
get_num_edges_to_smaller_indexed_nodes(rosetta.core.graph.Node) -> int
 
the number of lower neighbors
loop_incident(...) from builtins.PyCapsule
loop_incident(rosetta.core.graph.Node) -> bool
 
NOTE TO SELF: remove loop support
lower_edge_list_begin(...) from builtins.PyCapsule
lower_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its lower-edge list
lower_edge_list_end(...) from builtins.PyCapsule
lower_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its lower-edge list
num_edges(...) from builtins.PyCapsule
num_edges(rosetta.core.graph.Node) -> int
 
the number of edges incident on this node, which may include a loop edge
num_neighbors_counting_self(...) from builtins.PyCapsule
num_neighbors_counting_self(rosetta.core.graph.Node) -> int
 
the number of neighbors counting "self" as a neighbor.
num_neighbors_counting_self_static(...) from builtins.PyCapsule
num_neighbors_counting_self_static(rosetta.core.graph.Node) -> int
 
the number of neighbors counting "self" as neighbor. Defaults to
 num_neighbors_counting_self() but can be set to other values as well.
 Useful in calculation of symmetrical structures.
print(...) from builtins.PyCapsule
print(rosetta.core.graph.Node) -> NoneType
 
send summaray data about this node to the screen
set_num_neighbors_counting_self_static(...) from builtins.PyCapsule
set_num_neighbors_counting_self_static(self : rosetta.core.graph.Node, neighbor : int) -> NoneType
 
manually change the number of neighbors for a Node. Used
 for symmetry scoring
upper_edge_list_begin(...) from builtins.PyCapsule
upper_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its upper-edge list
upper_edge_list_end(...) from builtins.PyCapsule
upper_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its upper-edge list

 
class TwelveANeighborEdge(rosetta.core.graph.Edge)
    
Method resolution order:
TwelveANeighborEdge
rosetta.core.graph.Edge
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle, owner : rosetta.core.graph.Graph, first_node_ind : int, second_node_ind : int) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
copy_from(...) from builtins.PyCapsule
copy_from(self : rosetta.core.scoring.TwelveANeighborEdge, source : rosetta.core.graph.Edge) -> NoneType
count_dynamic_memory(...) from builtins.PyCapsule
count_dynamic_memory(rosetta.core.scoring.TwelveANeighborEdge) -> int
count_static_memory(...) from builtins.PyCapsule
count_static_memory(rosetta.core.scoring.TwelveANeighborEdge) -> int

Methods inherited from rosetta.core.graph.Edge:
get_first_node_ind(...) from builtins.PyCapsule
get_first_node_ind(rosetta.core.graph.Edge) -> int
 
returns the index of the lower node
get_other_ind(...) from builtins.PyCapsule
get_other_ind(self : rosetta.core.graph.Edge, node_index : int) -> int
 
returns the index of the one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
get_other_node(...) from builtins.PyCapsule
get_other_node(*args, **kwargs)
Overloaded function.
 
1. get_other_node(self : rosetta.core.graph.Edge, node_index : int) -> rosetta.core.graph.Node
 
returns a const pointer to one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
 
2. get_other_node(self : rosetta.core.graph.Edge, node_index : int) -> rosetta.core.graph.Node
 
returns a non-const pointer to one node given the index of the other.
 node_index must be one of the two nodes that this edge is incident upon.
get_second_node_ind(...) from builtins.PyCapsule
get_second_node_ind(rosetta.core.graph.Edge) -> int
 
returns the index of the upper node
is_loop(...) from builtins.PyCapsule
is_loop(rosetta.core.graph.Edge) -> bool
 
Is this edge a loop? In Pseudographs, loop edges are incident twice on a single vertex.
same_edge(...) from builtins.PyCapsule
same_edge(self : rosetta.core.graph.Edge, node1 : int, node2 : int) -> bool
 
Is this the same edge as another edge (node1,node2)?  Note:
 this graph does not work for multi-graphs.  Edges must be unique.
set_pos_in_owners_list(...) from builtins.PyCapsule
set_pos_in_owners_list(self : rosetta.core.graph.Edge, edge_iterator : rosetta.core.graph.EdgeListIterator) -> NoneType
 
called only by class Graph, this function gives the Edge the data it needs
 to later delete itself from its owner's edge list in constant time.

 
class TwelveANeighborGraph(ContextGraph)
    
Method resolution order:
TwelveANeighborGraph
ContextGraph
rosetta.core.graph.Graph
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(self : handle, num_nodes : int) -> NoneType
 
3. __init__(handle, rosetta.core.scoring.TwelveANeighborGraph) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.TwelveANeighborGraph, source : rosetta.core.scoring.TwelveANeighborGraph) -> rosetta.core.scoring.TwelveANeighborGraph
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.TwelveANeighborGraph) -> rosetta.core.scoring.ContextGraph
conditionally_add_edge(...) from builtins.PyCapsule
conditionally_add_edge(self : rosetta.core.scoring.TwelveANeighborGraph, lower_node_id : int, upper_node_id : int, dsq : float) -> NoneType
delete_edge(...) from builtins.PyCapsule
delete_edge(self : rosetta.core.scoring.TwelveANeighborGraph, edge : rosetta.core.graph.Edge) -> NoneType
neighbor_cutoff(...) from builtins.PyCapsule
neighbor_cutoff(rosetta.core.scoring.TwelveANeighborGraph) -> float
update_from_pose(...) from builtins.PyCapsule
update_from_pose(self : rosetta.core.scoring.TwelveANeighborGraph, pose : rosetta.core.pose.Pose) -> NoneType

Methods inherited from rosetta.core.graph.Graph:
add_edge(...) from builtins.PyCapsule
add_edge(*args, **kwargs)
Overloaded function.
 
1. add_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
add an edge between two vertices.  Invokes "create_edge" from the derived class.
 Returns a pointer to the edge after its been added, allowing the calling function
 to immediately set data for this edge.
 
2. add_edge(self : rosetta.core.graph.Graph, example_edge : rosetta.core.graph.Edge) -> rosetta.core.graph.Edge
 
add an edge to this graph copying the data from an edge in another graph.
 Returns a pointer to the edge after its been added, allowing the calling function
 to immediately set data for this edge.
all_pairs_shortest_paths(...) from builtins.PyCapsule
all_pairs_shortest_paths(rosetta.core.graph.Graph) -> ObjexxFCL::FArray2D<int>
 
O(V^3).  Computes all pairs shortest paths using Warshall's algorithm
 and writes all the path distances to the two-dimensional table.
const_edge_list_begin(...) from builtins.PyCapsule
const_edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
const_edge_list_end(...) from builtins.PyCapsule
const_edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
copy_connectivity(...) from builtins.PyCapsule
copy_connectivity(self : rosetta.core.graph.Graph, source : rosetta.core.graph.Graph) -> NoneType
 
copy the edge connectivity from a source graph with a potentially
 unknown type.
drop_all_edges(...) from builtins.PyCapsule
drop_all_edges(rosetta.core.graph.Graph) -> NoneType
 
delete all the edges present in the graph
drop_all_edges_for_node(...) from builtins.PyCapsule
drop_all_edges_for_node(self : rosetta.core.graph.Graph, node : int) -> NoneType
 
delete all the edges for a single vertex in the graph
edge_list_begin(...) from builtins.PyCapsule
edge_list_begin(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
edge_list_end(...) from builtins.PyCapsule
edge_list_end(rosetta.core.graph.Graph) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of the (unordered) edge list for the graph.
 this edge list contains all the edges in the graph, not simply those for a particular vertex
find_edge(...) from builtins.PyCapsule
find_edge(*args, **kwargs)
Overloaded function.
 
1. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
returns a pointer to the edge connecting nodes node1 and node2, if that edge exists
 in the graph, o.w. returns 0.  Focuses the graph on this edge for fast subsequent retrieval.
 
2. find_edge(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> rosetta.core.graph.Edge
 
returns a const pointer to the edge connecting nodes node1 and node2, if that edge exists
 in the graph, o.w. returns 0.  Focuses the graph on this edge for fast subsequent retrieval.
focused_edge(...) from builtins.PyCapsule
focused_edge(*args, **kwargs)
Overloaded function.
 
1. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
 
returns a pointer to the focused edge
 
2. focused_edge(rosetta.core.graph.Graph) -> rosetta.core.graph.Edge
 
returns a const-pointer to the focused edge
getTotalMemoryUsage(...) from builtins.PyCapsule
getTotalMemoryUsage(rosetta.core.graph.Graph) -> int
 
returns a count of all the memory used by every vertex and edge in a graph
 by invoking the polymorphic count_static_memory and count_dynamic_memory of each
 (possibly derived) node and edge object as well as for the (possibly derived) graph
 class.
get_edge_exists(...) from builtins.PyCapsule
get_edge_exists(self : rosetta.core.graph.Graph, node1 : int, node2 : int) -> bool
 
is an edge already present in the graph? O(V) worst case.  O(1) iff all vertices have O(1) edges
get_node(...) from builtins.PyCapsule
get_node(*args, **kwargs)
Overloaded function.
 
1. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
 
2. get_node(self : rosetta.core.graph.Graph, index : int) -> rosetta.core.graph.Node
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
 
self pointers
 
2. get_self_ptr(rosetta.core.graph.Graph) -> rosetta.core.graph.Graph
num_edges(...) from builtins.PyCapsule
num_edges(rosetta.core.graph.Graph) -> int
num_nodes(...) from builtins.PyCapsule
num_nodes(rosetta.core.graph.Graph) -> int
 
the number of nodes in the graph
print_vertices(...) from builtins.PyCapsule
print_vertices(rosetta.core.graph.Graph) -> NoneType
 
send summary information to the screen for all vertices in the graph
set_num_nodes(...) from builtins.PyCapsule
set_num_nodes(self : rosetta.core.graph.Graph, num_nodes : int) -> NoneType
 
set the number of nodes in the graph -- deletes any existing edges in the graph

 
class TwelveANeighborNode(rosetta.core.graph.Node)
    
Method resolution order:
TwelveANeighborNode
rosetta.core.graph.Node
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle,  : rosetta.core.graph.Graph, node_id : int) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
copy_from(...) from builtins.PyCapsule
copy_from(self : rosetta.core.scoring.TwelveANeighborNode, source : rosetta.core.graph.Node) -> NoneType
count_dynamic_memory(...) from builtins.PyCapsule
count_dynamic_memory(rosetta.core.scoring.TwelveANeighborNode) -> int
count_static_memory(...) from builtins.PyCapsule
count_static_memory(rosetta.core.scoring.TwelveANeighborNode) -> int

Methods inherited from rosetta.core.graph.Node:
add_edge(...) from builtins.PyCapsule
add_edge(self : rosetta.core.graph.Node, edge_ptr : core::graph::Edge,  : rosetta.core.graph.EdgeListIterator) -> NoneType
 
adds edge pointer to edge list; returns an iterator to the new
 list element
const_edge_list_begin(...) from builtins.PyCapsule
const_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its edge list
const_edge_list_end(...) from builtins.PyCapsule
const_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its edge list
const_lower_edge_list_begin(...) from builtins.PyCapsule
const_lower_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its lower-edge list
const_lower_edge_list_end(...) from builtins.PyCapsule
const_lower_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its lower-edge list
const_upper_edge_list_begin(...) from builtins.PyCapsule
const_upper_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the beginning of its upper-edge list
const_upper_edge_list_end(...) from builtins.PyCapsule
const_upper_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListConstIterator
 
returns a const iterator to the end of its upper-edge list
drop_all_edges(...) from builtins.PyCapsule
drop_all_edges(rosetta.core.graph.Node) -> NoneType
 
deletes all edges incident upon this node
drop_edge(...) from builtins.PyCapsule
drop_edge(self : rosetta.core.graph.Node, edge_iterator : rosetta.core.graph.EdgeListIterator) -> NoneType
 
removes an edge iterator from the node's edge list.  Only called by Edge class.
edge_list_begin(...) from builtins.PyCapsule
edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its edge list
edge_list_end(...) from builtins.PyCapsule
edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its edge list
find_edge(...) from builtins.PyCapsule
find_edge(*args, **kwargs)
Overloaded function.
 
1. find_edge(self : rosetta.core.graph.Node, other_node_index : int) -> core::graph::Edge
 
a "slow" (linear) search for an edge.
 
2. find_edge(self : rosetta.core.graph.Node, other_node_index : int) -> core::graph::Edge
get_node_index(...) from builtins.PyCapsule
get_node_index(rosetta.core.graph.Node) -> int
 
the index for this node
get_num_edges_to_larger_indexed_nodes(...) from builtins.PyCapsule
get_num_edges_to_larger_indexed_nodes(rosetta.core.graph.Node) -> int
 
the number of upper neighbors -- which "self" neighborness is counted if a loop edge
 is present
get_num_edges_to_smaller_indexed_nodes(...) from builtins.PyCapsule
get_num_edges_to_smaller_indexed_nodes(rosetta.core.graph.Node) -> int
 
the number of lower neighbors
loop_incident(...) from builtins.PyCapsule
loop_incident(rosetta.core.graph.Node) -> bool
 
NOTE TO SELF: remove loop support
lower_edge_list_begin(...) from builtins.PyCapsule
lower_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its lower-edge list
lower_edge_list_end(...) from builtins.PyCapsule
lower_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its lower-edge list
num_edges(...) from builtins.PyCapsule
num_edges(rosetta.core.graph.Node) -> int
 
the number of edges incident on this node, which may include a loop edge
num_neighbors_counting_self(...) from builtins.PyCapsule
num_neighbors_counting_self(rosetta.core.graph.Node) -> int
 
the number of neighbors counting "self" as a neighbor.
num_neighbors_counting_self_static(...) from builtins.PyCapsule
num_neighbors_counting_self_static(rosetta.core.graph.Node) -> int
 
the number of neighbors counting "self" as neighbor. Defaults to
 num_neighbors_counting_self() but can be set to other values as well.
 Useful in calculation of symmetrical structures.
print(...) from builtins.PyCapsule
print(rosetta.core.graph.Node) -> NoneType
 
send summaray data about this node to the screen
set_num_neighbors_counting_self_static(...) from builtins.PyCapsule
set_num_neighbors_counting_self_static(self : rosetta.core.graph.Node, neighbor : int) -> NoneType
 
manually change the number of neighbors for a Node. Used
 for symmetry scoring
upper_edge_list_begin(...) from builtins.PyCapsule
upper_edge_list_begin(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the beginning of its upper-edge list
upper_edge_list_end(...) from builtins.PyCapsule
upper_edge_list_end(rosetta.core.graph.Node) -> rosetta.core.graph.EdgeListIterator
 
returns a non-const iterator to the end of its upper-edge list

 
class UnfoldedStatePotential(builtins.object)
    making this a separate class because it relies on a database file. rather than putting the code to read the database file
in the energy method class, it seems like the design we're following is to have a class like this one that reads the file
and provides the lookup into the data structure holding the database information and a separate class for the energy method
implementation.
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : rosetta.core.scoring.UnfoldedStatePotential, filename : str) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.UnfoldedStatePotential,  : rosetta.core.scoring.UnfoldedStatePotential) -> rosetta.core.scoring.UnfoldedStatePotential
get_unfoled_potential_file_weights(...) from builtins.PyCapsule
get_unfoled_potential_file_weights(rosetta.core.scoring.UnfoldedStatePotential) -> rosetta.core.scoring.EMapVector
 
returns an emap of the energy method weights specfied in the unfolded energy file
pose_raw_unfolded_state_energymap(...) from builtins.PyCapsule
pose_raw_unfolded_state_energymap(self : rosetta.core.scoring.UnfoldedStatePotential, pose : rosetta.core.pose.Pose, e : rosetta.core.scoring.EMapVector) -> NoneType
 
returns the unweighted unfolded state energy for the whole pose as an emap (i.e. broken up by score type)
raw_unfolded_state_energymap(...) from builtins.PyCapsule
raw_unfolded_state_energymap(self : rosetta.core.scoring.UnfoldedStatePotential, aa_name3 : str, e : rosetta.core.scoring.EMapVector) -> NoneType
 
returns the database values for an aa in the unfolded state - these are unweighted values!

 
class VdWTinkerPoseInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
VdWTinkerPoseInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.VdWTinkerPoseInfo) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.VdWTinkerPoseInfo,  : rosetta.core.scoring.VdWTinkerPoseInfo) -> rosetta.core.scoring.VdWTinkerPoseInfo
being_packed(...) from builtins.PyCapsule
being_packed(self : rosetta.core.scoring.VdWTinkerPoseInfo, seqpos : int) -> bool
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.VdWTinkerPoseInfo) -> rosetta.basic.datacache.CacheableData
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.VdWTinkerPoseInfo, pose : rosetta.core.pose.Pose) -> NoneType
placeholder_info(...) from builtins.PyCapsule
placeholder_info(self : rosetta.core.scoring.VdWTinkerPoseInfo, seqpos : int) -> rosetta.core.scoring.VdWTinkerResidueInfo
placeholder_residue(...) from builtins.PyCapsule
placeholder_residue(self : rosetta.core.scoring.VdWTinkerPoseInfo, seqpos : int) -> rosetta.core.conformation.Residue
residue_info(...) from builtins.PyCapsule
residue_info(*args, **kwargs)
Overloaded function.
 
1. residue_info(self : rosetta.core.scoring.VdWTinkerPoseInfo, i : int) -> rosetta.core.scoring.VdWTinkerResidueInfo
 
2. residue_info(self : rosetta.core.scoring.VdWTinkerPoseInfo, i : int) -> rosetta.core.scoring.VdWTinkerResidueInfo
set_placeholder(...) from builtins.PyCapsule
set_placeholder(self : rosetta.core.scoring.VdWTinkerPoseInfo, i : int, rsd : rosetta.core.conformation.Residue, info : rosetta.core.scoring.VdWTinkerResidueInfo) -> NoneType
set_repack_list(...) from builtins.PyCapsule
set_repack_list(self : rosetta.core.scoring.VdWTinkerPoseInfo, repacking_residues : rosetta.utility.vector1_bool) -> NoneType
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.VdWTinkerPoseInfo) -> int

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class VdWTinkerPotential(builtins.object)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.VdWTinkerPotential) -> NoneType
 
2. __init__(self : rosetta.core.scoring.VdWTinkerPotential,  : rosetta.core.scoring.VdWTinkerPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
amoeba_type_lookup(...) from builtins.PyCapsule
amoeba_type_lookup(self : rosetta.core.scoring.VdWTinkerPotential, atomname : str, resname : str, variantname : str) -> int
 
Look up Amoeba type by resname/atomname/variant name
assign_all_amoeba_types(...) from builtins.PyCapsule
assign_all_amoeba_types(self : rosetta.core.scoring.VdWTinkerPotential, pose : rosetta.core.pose.Pose) -> NoneType
 
called prior to scoring, eg
assign_residue_amoeba_type(...) from builtins.PyCapsule
assign_residue_amoeba_type(self : rosetta.core.scoring.VdWTinkerPotential, rsd : rosetta.core.conformation.Residue, mp : rosetta.core.scoring.VdWTinkerResidueInfo) -> NoneType
 
called prior to scoring, eg
eval_residue_pair_derivatives(...) from builtins.PyCapsule
eval_residue_pair_derivatives(self : rosetta.core.scoring.VdWTinkerPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, mp1 : rosetta.core.scoring.VdWTinkerResidueInfo, mp2 : rosetta.core.scoring.VdWTinkerResidueInfo, pose : rosetta.core.pose.Pose, factor : float, r1_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
get_res_res_vdw(...) from builtins.PyCapsule
get_res_res_vdw(self : rosetta.core.scoring.VdWTinkerPotential, rsd1 : rosetta.core.conformation.Residue, mp1 : rosetta.core.scoring.VdWTinkerResidueInfo, rsd2 : rosetta.core.conformation.Residue, mp2 : rosetta.core.scoring.VdWTinkerResidueInfo) -> float
get_rotamers_vdw_info(...) from builtins.PyCapsule
get_rotamers_vdw_info(self : rosetta.core.scoring.VdWTinkerPotential, pose : rosetta.core.pose.Pose,  : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
Get the amoeba info for rotamers
read_in_amoeba_parameters(...) from builtins.PyCapsule
read_in_amoeba_parameters(rosetta.core.scoring.VdWTinkerPotential) -> NoneType
 
read in parameters for amoeba and mappings between
 Rosetta residues/atoms and Amoeba types
read_in_vdw_tinker_parameters(...) from builtins.PyCapsule
read_in_vdw_tinker_parameters(rosetta.core.scoring.VdWTinkerPotential) -> NoneType
 
read in vdw parameters for amoeba types
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.VdWTinkerPotential, pose : rosetta.core.pose.Pose, repacking_residues : rosetta.utility.vector1_bool) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.VdWTinkerPotential, pose : rosetta.core.pose.Pose) -> NoneType
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.VdWTinkerPotential, pose : rosetta.core.pose.Pose, seqpos : int) -> NoneType

 
class VdWTinkerResidueInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
VdWTinkerResidueInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(self : handle, rsd : rosetta.core.conformation.Residue) -> NoneType
 
3. __init__(handle, rosetta.core.scoring.VdWTinkerResidueInfo) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.VdWTinkerResidueInfo,  : rosetta.core.scoring.VdWTinkerResidueInfo) -> rosetta.core.scoring.VdWTinkerResidueInfo
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.VdWTinkerResidueInfo) -> rosetta.basic.datacache.CacheableData
copy_clone(...) from builtins.PyCapsule
copy_clone(rosetta.core.scoring.VdWTinkerResidueInfo) -> rosetta.core.scoring.VdWTinkerResidueInfo
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.VdWTinkerResidueInfo, rsd : rosetta.core.conformation.Residue) -> NoneType
nonconst_vdw_type(...) from builtins.PyCapsule
nonconst_vdw_type(self : rosetta.core.scoring.VdWTinkerResidueInfo, atm : int) -> int
vdw_type(...) from builtins.PyCapsule
vdw_type(self : rosetta.core.scoring.VdWTinkerResidueInfo, atm : int) -> int

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class VdWTinkerRotamerSetInfo(rosetta.basic.datacache.CacheableData)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
 
Method resolution order:
VdWTinkerRotamerSetInfo
rosetta.basic.datacache.CacheableData
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle, rosetta.core.scoring.VdWTinkerRotamerSetInfo) -> NoneType
 
2. __init__(self : handle, rotamer_set : rosetta.core.conformation.RotamerSetBase) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.VdWTinkerRotamerSetInfo,  : rosetta.core.scoring.VdWTinkerRotamerSetInfo) -> rosetta.core.scoring.VdWTinkerRotamerSetInfo
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.VdWTinkerRotamerSetInfo) -> rosetta.basic.datacache.CacheableData
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.VdWTinkerRotamerSetInfo, rotamer_set : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
dont forget to 0 the born_radii
residue_info(...) from builtins.PyCapsule
residue_info(*args, **kwargs)
Overloaded function.
 
1. residue_info(self : rosetta.core.scoring.VdWTinkerRotamerSetInfo, i : int) -> rosetta.core.scoring.VdWTinkerResidueInfo
 
2. residue_info(self : rosetta.core.scoring.VdWTinkerRotamerSetInfo, i : int) -> rosetta.core.scoring.VdWTinkerResidueInfo
size(...) from builtins.PyCapsule
size(rosetta.core.scoring.VdWTinkerRotamerSetInfo) -> int

Methods inherited from rosetta.basic.datacache.CacheableData:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
 
self pointers
 
2. get_self_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.basic.datacache.CacheableData
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_const_basic_datacache_CacheableData_t
 
2. get_self_weak_ptr(rosetta.basic.datacache.CacheableData) -> rosetta.std.weak_ptr_basic_datacache_CacheableData_t

 
class WaterAdductHBondPotential(builtins.object)
    /////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
/////////////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.WaterAdductHBondPotential) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.WaterAdductHBondPotential,  : rosetta.core.scoring.WaterAdductHBondPotential) -> rosetta.core.scoring.WaterAdductHBondPotential
fill_h2o_hbond_set(...) from builtins.PyCapsule
fill_h2o_hbond_set(self : rosetta.core.scoring.WaterAdductHBondPotential, pose : rosetta.core.pose.Pose, hbond_set : core::scoring::hbonds::HBondSet) -> NoneType
 
Fills the hbond set with hydrogen bonds to water; clears the original hbonds in the set
 and also resets the hbond_options in the input hbond set.
get_residue_residue_h2o_hbonds_1way(...) from builtins.PyCapsule
get_residue_residue_h2o_hbonds_1way(self : rosetta.core.scoring.WaterAdductHBondPotential, don_rsd : rosetta.core.conformation.Residue, acc_rsd : rosetta.core.conformation.Residue, don_nb : int, acc_nb : int, hbond_set : core::scoring::hbonds::HBondSet) -> NoneType
h2o_hbond_score_1way(...) from builtins.PyCapsule
h2o_hbond_score_1way(self : rosetta.core.scoring.WaterAdductHBondPotential, h2o_rsd : rosetta.core.conformation.Residue, other_rsd : rosetta.core.conformation.Residue) -> float
water_adduct_hbond_score(...) from builtins.PyCapsule
water_adduct_hbond_score(self : rosetta.core.scoring.WaterAdductHBondPotential, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue) -> float

 
class min_pair_data(builtins.object)
     Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(rosetta.core.scoring.min_pair_data, rosetta.core.scoring.min_pair_data) -> bool
__hash__(...) from builtins.PyCapsule
__hash__(rosetta.core.scoring.min_pair_data) -> int
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.min_pair_data, int) -> NoneType
 
2. __init__(rosetta.core.scoring.min_pair_data, int) -> NoneType
__int__(...) from builtins.PyCapsule
__int__(rosetta.core.scoring.min_pair_data) -> int
__ne__(...) from builtins.PyCapsule
__ne__(rosetta.core.scoring.min_pair_data, rosetta.core.scoring.min_pair_data) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__repr__(...) from builtins.PyCapsule
__repr__(rosetta.core.scoring.min_pair_data) -> str

Data and other attributes defined here:
cst_respair_data = min_pair_data.cst_respair_data
elec_pair_nblist = min_pair_data.elec_pair_nblist
etab_classic_intrares_pair_nblist = min_pair_data.etab_classic_intrares_pair_nblist
etab_pair_nblist = min_pair_data.etab_pair_nblist
fa_custom_pair_dist_data = min_pair_data.fa_custom_pair_dist_data
fa_dslf_respair_data = min_pair_data.fa_dslf_respair_data
geom_solv_pair_nblist = min_pair_data.geom_solv_pair_nblist
hbond_respair_data = min_pair_data.n_min_pair_data
lk_PolarNonPolar_pair_nblist = min_pair_data.lk_PolarNonPolar_pair_nblist
lkb_respair_data = min_pair_data.lkb_respair_data
mg_pair_nblist = min_pair_data.mg_pair_nblist
mp_respair_data = min_pair_data.mp_respair_data
n_min_pair_data = min_pair_data.n_min_pair_data
vdw_respair_data = min_pair_data.vdw_respair_data

 
class min_single_data(builtins.object)
     Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(rosetta.core.scoring.min_single_data, rosetta.core.scoring.min_single_data) -> bool
__hash__(...) from builtins.PyCapsule
__hash__(rosetta.core.scoring.min_single_data) -> int
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.min_single_data, int) -> NoneType
 
2. __init__(rosetta.core.scoring.min_single_data, int) -> NoneType
__int__(...) from builtins.PyCapsule
__int__(rosetta.core.scoring.min_single_data) -> int
__ne__(...) from builtins.PyCapsule
__ne__(rosetta.core.scoring.min_single_data, rosetta.core.scoring.min_single_data) -> bool
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__repr__(...) from builtins.PyCapsule
__repr__(rosetta.core.scoring.min_single_data) -> str

Data and other attributes defined here:
cst_res_data = min_single_data.cst_res_data
etab_classic_intrares_single_nblist = min_single_data.etab_classic_intrares_single_nblist
etab_single_nblist = min_single_data.etab_single_nblist
hbond_res_data = min_single_data.n_min_single_data
lkb_res_data = min_single_data.lkb_res_data
mm_lj_intra_nblist = min_single_data.mm_lj_intra_nblist
mp_res_data = min_single_data.mp_res_data
n_min_single_data = min_single_data.n_min_single_data
vdw_res_data = min_single_data.vdw_res_data

 
Functions
       
CA_gdtmm(...) method of builtins.PyCapsule instance
CA_gdtmm(*args, **kwargs)
Overloaded function.
 
1. CA_gdtmm(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, residues : rosetta.std.map_unsigned_long_unsigned_long) -> float
 
Compute the CA RMSD between two poses.
 
2. CA_gdtmm(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> float
 
Calculate gdtmm score based on the C-alpha positions in pose1 and pose2.
 
3. CA_gdtmm(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, m_1_1 : float, m_2_2 : float, m_3_3 : float, m_4_3 : float, m_7_4 : float) -> float
 
Calculate gdtmm score based on the C-alpha positions in pose1 and pose2. Also returns the
 five components of the gdtmm score.
 
4. CA_gdtmm(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, residue_selection : rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t, m_1_1 : float, m_2_2 : float, m_3_3 : float, m_4_3 : float, m_7_4 : float) -> float
 
5. CA_gdtmm(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, residue_selection : rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t) -> float
 
Calculate gdtmm score based on the C-alpha positions in pose1 and pose2.
CA_gdttm(...) method of builtins.PyCapsule instance
CA_gdttm(*args, **kwargs)
Overloaded function.
 
1. CA_gdttm(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, gdttm_score : float, gdtha_score : float, residue_selection : rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t) -> NoneType
 
Calculate gdttm score based on the C-alpha positions in pose1 and pose2.
 
2. CA_gdttm(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, gdttm_score : float, gdtha_score : float, residues : rosetta.std.map_unsigned_long_unsigned_long) -> NoneType
 
3. CA_gdttm(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, gdttm_score : float, gdtha_score : float) -> NoneType
CA_maxsub(...) method of builtins.PyCapsule instance
CA_maxsub(*args, **kwargs)
Overloaded function.
 
1. CA_maxsub(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> int
 
Calculates a C-alpha maxsub-based superposition between pose1 and pose2, returns
 the number of residues superimposed past a certain threshold. See maxsub.hh and maxsub.cc
 for more information.
 
2. CA_maxsub(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, rms : float) -> int
 
Calculates a C-alpha maxsub-based superposition between pose1 and pose2, returns
 the number of residues superimposed past a certain threshold. See maxsub.hh and maxsub.cc
 for more information.
 
3. CA_maxsub(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, residue_selection : rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t) -> int
 
4. CA_maxsub(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, residue_selection : rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t, rms : float) -> int
CA_rmsd(...) method of builtins.PyCapsule instance
CA_rmsd(*args, **kwargs)
Overloaded function.
 
1. CA_rmsd(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, residues : rosetta.std.map_unsigned_long_unsigned_long) -> float
 
Compute the CA RMSD between two poses.
 
2. CA_rmsd(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> float
 
Compute rmsd for residues between start and end.
 If start and end aren't specified, use the entire pose.
 
3. CA_rmsd(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, start : int) -> float
 
Compute rmsd for residues between start and end.
 If start and end aren't specified, use the entire pose.
 
4. CA_rmsd(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, start : int, end : int) -> float
 
Compute rmsd for residues between start and end.
 If start and end aren't specified, use the entire pose.
 
5. CA_rmsd(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, start : int, end : int, exclude : rosetta.utility.vector1_unsigned_long) -> float
 
6. CA_rmsd(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, residue_selection : rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t) -> float
CA_rmsd_symmetric(...) method of builtins.PyCapsule instance
CA_rmsd_symmetric(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> float
MembraneEmbed_from_pose(...) method of builtins.PyCapsule instance
MembraneEmbed_from_pose(pose : rosetta.core.pose.Pose) -> rosetta.core.scoring.MembraneEmbed
 
Add Const Membrane Embedding to the pose cache
MembraneTopology_from_pose(...) method of builtins.PyCapsule instance
MembraneTopology_from_pose(pose : rosetta.core.pose.Pose) -> rosetta.core.scoring.MembraneTopology
Membrane_FAEmbed_from_pose(...) method of builtins.PyCapsule instance
Membrane_FAEmbed_from_pose( : rosetta.core.pose.Pose) -> rosetta.core.scoring.Membrane_FAEmbed
 
Grab Const MP Fa Embedding data from the pose cache
all_atom_rmsd(...) method of builtins.PyCapsule instance
all_atom_rmsd(*args, **kwargs)
Overloaded function.
 
1. all_atom_rmsd(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> float
 
2. all_atom_rmsd(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, residue_selection : rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t) -> float
all_atom_rmsd_nosuper(...) method of builtins.PyCapsule instance
all_atom_rmsd_nosuper(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> float
all_scatom_rmsd_nosuper(...) method of builtins.PyCapsule instance
all_scatom_rmsd_nosuper(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> float
automorphic_rmsd(...) method of builtins.PyCapsule instance
automorphic_rmsd(rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, superimpose : bool) -> float
 
RMSD between residues, accounting for automorphisms
 (symmetries).  For example if you have something like a tyrosine,
 you won't get a higher rmsd just because you flipped the ring 180 degrees (Rocco).
 Does NOT include H atoms -- they add lots of extra symmetries.
bb_rmsd(...) method of builtins.PyCapsule instance
bb_rmsd(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> float
 
Compute rmsd for only backbone residues (excluding carboxyl oxygen)
bb_rmsd_including_O(...) method of builtins.PyCapsule instance
bb_rmsd_including_O(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> float
 
Compute rmsd for only backbone residues (including carboxyl oxygen)
calc_per_atom_sasa(...) method of builtins.PyCapsule instance
calc_per_atom_sasa(*args, **kwargs)
Overloaded function.
 
1. calc_per_atom_sasa(pose : rosetta.core.pose.Pose, atom_sasa : rosetta.core.id.AtomID_Map_double_t, rsd_sasa : rosetta.utility.vector1_double, probe_radius : float) -> float
 
Return total SASA
 
2. calc_per_atom_sasa(pose : rosetta.core.pose.Pose, atom_sasa : rosetta.core.id.AtomID_Map_double_t, rsd_sasa : rosetta.utility.vector1_double, probe_radius : float, use_big_polar_H : bool) -> float
 
Return total SASA
 
3. calc_per_atom_sasa(pose : rosetta.core.pose.Pose, atom_sasa : rosetta.core.id.AtomID_Map_double_t, rsd_sasa : rosetta.utility.vector1_double, probe_radius : float, use_big_polar_H : bool, atom_subset : rosetta.core.id.AtomID_Map_bool_t) -> float
 
4. calc_per_atom_sasa(pose : rosetta.core.pose.Pose, atom_sasa : rosetta.core.id.AtomID_Map_double_t, rsd_sasa : rosetta.utility.vector1_double, probe_radius : float, use_big_polar_H : bool, atom_subset : rosetta.core.id.AtomID_Map_bool_t, use_naccess_sasa_radii : bool) -> float
 
5. calc_per_atom_sasa(pose : rosetta.core.pose.Pose, atom_sasa : rosetta.core.id.AtomID_Map_double_t, rsd_sasa : rosetta.utility.vector1_double, probe_radius : float, use_big_polar_H : bool, atom_subset : rosetta.core.id.AtomID_Map_bool_t, use_naccess_sasa_radii : bool, expand_polar_radii : bool) -> float
 
6. calc_per_atom_sasa(pose : rosetta.core.pose.Pose, atom_sasa : rosetta.core.id.AtomID_Map_double_t, rsd_sasa : rosetta.utility.vector1_double, probe_radius : float, use_big_polar_H : bool, atom_subset : rosetta.core.id.AtomID_Map_bool_t, use_naccess_sasa_radii : bool, expand_polar_radii : bool, polar_expansion_radius : float) -> float
 
7. calc_per_atom_sasa(pose : rosetta.core.pose.Pose, atom_sasa : rosetta.core.id.AtomID_Map_double_t, rsd_sasa : rosetta.utility.vector1_double, probe_radius : float, use_big_polar_H : bool, atom_subset : rosetta.core.id.AtomID_Map_bool_t, use_naccess_sasa_radii : bool, expand_polar_radii : bool, polar_expansion_radius : float, include_probe_radius_in_atom_radii : bool) -> float
 
8. calc_per_atom_sasa(pose : rosetta.core.pose.Pose, atom_sasa : rosetta.core.id.AtomID_Map_double_t, rsd_sasa : rosetta.utility.vector1_double, probe_radius : float, use_big_polar_H : bool, atom_subset : rosetta.core.id.AtomID_Map_bool_t, use_naccess_sasa_radii : bool, expand_polar_radii : bool, polar_expansion_radius : float, include_probe_radius_in_atom_radii : bool, use_lj_radii : bool) -> float
calc_per_atom_sasa_sc(...) method of builtins.PyCapsule instance
calc_per_atom_sasa_sc(pose : rosetta.core.pose.Pose, rsd_sasa : rosetta.utility.vector1_double, normalize : bool) -> float
calc_per_res_hydrophobic_sasa(...) method of builtins.PyCapsule instance
calc_per_res_hydrophobic_sasa(*args, **kwargs)
Overloaded function.
 
1. calc_per_res_hydrophobic_sasa(pose : rosetta.core.pose.Pose, rsd_sasa : rosetta.utility.vector1_double, rsd_hydrophobic_sasa : rosetta.utility.vector1_double, probe_radius : float) -> float
 
2. calc_per_res_hydrophobic_sasa(pose : rosetta.core.pose.Pose, rsd_sasa : rosetta.utility.vector1_double, rsd_hydrophobic_sasa : rosetta.utility.vector1_double, probe_radius : float, use_naccess_sasa_radii : bool) -> float
calc_total_sasa(...) method of builtins.PyCapsule instance
calc_total_sasa(pose : rosetta.core.pose.Pose, probe_radius : float) -> float
 
returns total sasa
calpha_superimpose_pose(...) method of builtins.PyCapsule instance
calpha_superimpose_pose(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose) -> float
 
Superimpose two poses by their calpha coordinates.  Ignores residues
 that do not have atoms named "CA."
compute_bb_centroid(...) method of builtins.PyCapsule instance
compute_bb_centroid(r1 : rosetta.core.conformation.Residue) -> rosetta.numeric.xyzVector_double_t
 
Compute the average coordinate of the backbone heavy atoms
 (aka center of mass).
compute_bb_radius(...) method of builtins.PyCapsule instance
compute_bb_radius(r1 : rosetta.core.conformation.Residue, r1bb_centroid : rosetta.numeric.xyzVector_double_t) -> float
 
Given a representative point for the center of the backbone,
 compute the largest distance of all backbone heavy atoms to that point.
compute_sc_centroid(...) method of builtins.PyCapsule instance
compute_sc_centroid(r1 : rosetta.core.conformation.Residue) -> rosetta.numeric.xyzVector_double_t
 
Compute the average coordiante of the sidechain atoms, (aka center of mass)
 or, if there are no side chain heavy atoms, compute the center of mass of the
 backbone.
compute_sc_radius(...) method of builtins.PyCapsule instance
compute_sc_radius(r1 : rosetta.core.conformation.Residue, r1sc_centroid : rosetta.numeric.xyzVector_double_t) -> float
 
Given a representative point for the center of the sidechain,
 compute the largest distance of all sidechain heavy atoms to that point.
create_shuffle_map_recursive_rms(...) method of builtins.PyCapsule instance
create_shuffle_map_recursive_rms(sequence : rosetta.std.vector_int, N : int, map : rosetta.std.vector_std_vector_int_std_allocator_int_t) -> NoneType
eval_atom_derivatives_for_minedge(...) method of builtins.PyCapsule instance
eval_atom_derivatives_for_minedge(min_edge : rosetta.core.scoring.MinimizationEdge, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, res1_min_data : rosetta.core.scoring.ResSingleMinimizationData, res2_min_data : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, respair_weights : rosetta.core.scoring.EMapVector, r1atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
eval_atom_derivatives_for_minnode(...) method of builtins.PyCapsule instance
eval_atom_derivatives_for_minnode(min_node : rosetta.core.scoring.MinimizationNode, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, res_weights : rosetta.core.scoring.EMapVector, atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
 
Evaluate the derivatives for all atoms on the input residue
 for the terms that apply to this residue (which are stored on the input
 minimization node).
eval_bbbb_sr2b_energies(...) method of builtins.PyCapsule instance
eval_bbbb_sr2b_energies(r1 : rosetta.core.conformation.Residue, r2 : rosetta.core.conformation.Residue, r1bb_centroid : rosetta.numeric.xyzVector_double_t, r2bb_centroid : rosetta.numeric.xyzVector_double_t, r1bb_radius : float, r2bb_radius : float, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
With two bounding spheres for a pair of backbones,
 evaluate all the backbone/sidechain energies.  This will
 avoid a call to EnergyMethod E's backbone_backbone_energiy
 method if either a) E's atomic_interaction_cutoff + r1bb_radius +
 r2bb_radius < dist( r1bb_centroid, r2sc_centroid ) or b)
 E returns "false" in a call to its divides_backbone_and_-
 sidechain_energetics() method. The reason the call is avoided if
 "false" is returned is that, the entirety of a residue-pair-energy
 evaluation should be returned in the sidechain_sidechain_energy
 evaluation, if E does not implement its own versions of the bb/bb,
 bb/sc and sc/sc energy evaluation methods. Both context-dependent and
 context-independent 2-body energies are evaluated in this
 function.
eval_bbsc_sr2b_energies(...) method of builtins.PyCapsule instance
eval_bbsc_sr2b_energies(r1 : rosetta.core.conformation.Residue, r2 : rosetta.core.conformation.Residue, r1bb_centroid : rosetta.numeric.xyzVector_double_t, r2sc_centroid : rosetta.numeric.xyzVector_double_t, r1bb_radius : float, r2sc_radius : float, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
With two bounding spheres for a backbone and a sidechain,
 evaluate all the backbone/sidechain energies.  This will
 avoid a call to EnergyMethod E's backbone_sidechain_energiy
 method if either a) E's atomic_interaction_cutoff + r1bb_radius +
 r2sc_radius < dist( r1bb_centroid, r2sc_centroid ) or b)
 E returns "false" in a call to its divides_backbone_and_-
 sidechain_energetics() method. The reason the call is avoided if
 "false" is returned is that, the entirety of a residue-pair-energy
 evaluation should be returned in the sidechain_sidechain_energy
 evaluation, if E does not implement its own versions of the bb/bb,
 bb/sc and sc/sc energy evaluation methods. Both context-dependent and
 context-independent 2-body energies are evaluated in this
 function.
eval_dof_deriv_for_minnode(...) method of builtins.PyCapsule instance
eval_dof_deriv_for_minnode(min_node : rosetta.core.scoring.MinimizationNode, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, dof_id : rosetta.core.id.DOF_ID, torsion_id : rosetta.core.id.TorsionID, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector) -> float
eval_res_onebody_energies_for_minnode(...) method of builtins.PyCapsule instance
eval_res_onebody_energies_for_minnode(min_node : rosetta.core.scoring.MinimizationNode, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
eval_res_pair_energy_for_minedge(...) method of builtins.PyCapsule instance
eval_res_pair_energy_for_minedge(min_edge : rosetta.core.scoring.MinimizationEdge, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
eval_scsc_sr2b_energies(...) method of builtins.PyCapsule instance
eval_scsc_sr2b_energies(r1 : rosetta.core.conformation.Residue, r2 : rosetta.core.conformation.Residue, r1sc_centroid : rosetta.numeric.xyzVector_double_t, r2sc_centroid : rosetta.numeric.xyzVector_double_t, r1sc_radius : float, r2sc_radius : float, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
With two bounding spheres for a pair of sidechains,
 evaluate all the sidechain/sidechain energies.  This will
 avoid a call to EnergyMethod E's sidechain_sidechain_energiy
 method if a) E's atomic_interaction_cutoff + r1sc_radius +
 r2sc_radius < dist( r1sc_centroid, r2sc_centroid ) and b)
 E returns "true" in a call to its divides_backbone_and_-
 sidechain_energetics() method. Both context-dependent and
 context-independent 2-body energies are evaluated in this
 function.
eval_weighted_atom_derivatives_for_minedge(...) method of builtins.PyCapsule instance
eval_weighted_atom_derivatives_for_minedge(min_edge : rosetta.core.scoring.MinimizationEdge, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, res1_min_data : rosetta.core.scoring.ResSingleMinimizationData, res2_min_data : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, respair_weights : rosetta.core.scoring.EMapVector, r1atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
eval_weighted_dof_deriv_for_minnode(...) method of builtins.PyCapsule instance
eval_weighted_dof_deriv_for_minnode(min_node : rosetta.core.scoring.MinimizationNode, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, dof_id : rosetta.core.id.DOF_ID, torsion_id : rosetta.core.id.TorsionID, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector) -> float
eval_weighted_res_onebody_energies_for_minnode(...) method of builtins.PyCapsule instance
eval_weighted_res_onebody_energies_for_minnode(min_node : rosetta.core.scoring.MinimizationNode, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector, scratch_emap : rosetta.core.scoring.EMapVector) -> NoneType
eval_weighted_res_pair_energy_for_minedge(...) method of builtins.PyCapsule instance
eval_weighted_res_pair_energy_for_minedge(min_edge : rosetta.core.scoring.MinimizationEdge, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector, scratch_emap : rosetta.core.scoring.EMapVector) -> NoneType
find_weights_file(...) method of builtins.PyCapsule instance
find_weights_file(*args, **kwargs)
Overloaded function.
 
1. find_weights_file(name : str) -> str
 
Utility function to locate a weights or patch file, either with a fully qualified path,
 in the local directory, or in the database. Names may be passes either with or without the
 optional extension.
 
2. find_weights_file(name : str, extension : str) -> str
 
Utility function to locate a weights or patch file, either with a fully qualified path,
 in the local directory, or in the database. Names may be passes either with or without the
 optional extension.
gdtha(...) method of builtins.PyCapsule instance
gdtha(ref : rosetta.core.pose.Pose, model : rosetta.core.pose.Pose, residues : rosetta.std.map_unsigned_long_unsigned_long) -> float
 
Returns the average fraction of residues superimposable under a
 series of distance thresholds-- 0.5, 1.0, 2.0, and 4.0 Angstroms.
gdtsc(...) method of builtins.PyCapsule instance
gdtsc(ref : rosetta.core.pose.Pose, model : rosetta.core.pose.Pose, residues : rosetta.std.map_unsigned_long_unsigned_long) -> float
 
Returns a single, Global Distance Test-like value that measures the
 extent to which the functional ends of a model's sidechains agree with their
 counterparts in a given reference structure.
 
 
 Instead of comparing residue positions on the basis of CAs, gdtsc
 uses a characteristic atom near the end of each sidechain type for the
 evaluation of residue-residue distance deviations.
 
 The traditional GDT score is a weighted sum of the fraction of residues
 superimposed within limits of 1, 2, 4, and 8Ã…. For gdtsc, the backbone
 superposition is used to calculate fractions of corresponding model-ref
 sidechain atom pairs that fit under 10 distance-limit values from 0.5A
 to 5A. Ambiguity in Asp or Glu terminal oxygen naming is not currently
 considered.
 
 Reference:
 Keedy, DA. The other 90% of the protein. Proteins. 2009; 77 Suppl 9:29-49.
get_angles(...) method of builtins.PyCapsule instance
get_angles() -> ObjexxFCL::FArray2D<int>
get_masks(...) method of builtins.PyCapsule instance
get_masks() -> ObjexxFCL::FArray2D<ObjexxFCL::ubyte>
get_num_bytes(...) method of builtins.PyCapsule instance
get_num_bytes() -> int
get_orientation(...) method of builtins.PyCapsule instance
get_orientation(a_xyz : rosetta.numeric.xyzVector_double_t, b_xyz : rosetta.numeric.xyzVector_double_t, phi_index : int, theta_index : int, distance_ijxyz : float) -> NoneType
get_overlap(...) method of builtins.PyCapsule instance
get_overlap(radius_a : float, radius_b : float, distance_ijxyz : float, degree_of_overlap : int) -> NoneType
get_score_function(...) method of builtins.PyCapsule instance
get_score_function(*args, **kwargs)
Overloaded function.
 
1. get_score_function() -> rosetta.core.scoring.ScoreFunction
 
A helper function which returns a scoring function held in an owning pointer according to the
 user's command line parameters -score:weights and -score:patch
 By default it returns weights=talaris2013 for fullatom,
 and weights=cen_std and patch="" for centroid
 
2. get_score_function(is_fullatom : bool) -> rosetta.core.scoring.ScoreFunction
 
A helper function which returns a scoring function held in an owning pointer according to the
 user's command line parameters -score:weights and -score:patch
 By default it returns weights=talaris2013 for fullatom,
 and weights=cen_std and patch="" for centroid
 
3. get_score_function(options : rosetta.utility.options.OptionCollection) -> rosetta.core.scoring.ScoreFunction
 
A helper function which creates a scoring function held in an owning pointer reading
 from the input OptionCollection
 
4. get_score_function(options : rosetta.utility.options.OptionCollection, is_fullatom : bool) -> rosetta.core.scoring.ScoreFunction
 
A helper function which creates a scoring function held in an owning pointer reading
 from the input OptionCollection
get_score_functionName(...) method of builtins.PyCapsule instance
get_score_functionName(*args, **kwargs)
Overloaded function.
 
1. get_score_functionName() -> str
 
use the logic of get_score_function to get the name.
 The  name format is <weights_tag>[_<patch_tag> ... ]
 
2. get_score_functionName(is_fullatom : bool) -> str
 
use the logic of get_score_function to get the name.
 The  name format is <weights_tag>[_<patch_tag> ... ]
get_score_function_legacy(...) method of builtins.PyCapsule instance
get_score_function_legacy(*args, **kwargs)
Overloaded function.
 
1. get_score_function_legacy(pre_talaris_2013_weight_set : str) -> rosetta.core.scoring.ScoreFunction
 
A helper function that either returns a ScoreFunctionOP created by get_score_function() or
 the one specified by the protocol which is activated by the -restore_pre_talaris_2013_behavior
 flag.  The purpose of this function is to preserve legacy behavior for the sake of reproducibility
 and so that a record of the old behavior is still preserved in the code to ease the process of
 reverting the change to get_score_function if that were the wrong behavior.
 
2. get_score_function_legacy(pre_talaris_2013_weight_set : str, pre_talaris_2013_patch_file : str) -> rosetta.core.scoring.ScoreFunction
 
A helper function that either returns a ScoreFunctionOP created by get_score_function() or
 the one specified by the protocol which is activated by the -restore_pre_talaris_2013_behavior
 flag.  The purpose of this function is to preserve legacy behavior for the sake of reproducibility
 and so that a record of the old behavior is still preserved in the code to ease the process of
 reverting the change to get_score_function if that were the wrong behavior.
 
3. get_score_function_legacy(options : rosetta.utility.options.OptionCollection, pre_talaris_2013_weight_set : str) -> rosetta.core.scoring.ScoreFunction
 
4. get_score_function_legacy(options : rosetta.utility.options.OptionCollection, pre_talaris_2013_weight_set : str, pre_talaris_2013_patch_file : str) -> rosetta.core.scoring.ScoreFunction
input_sasa_dats(...) method of builtins.PyCapsule instance
input_sasa_dats() -> NoneType
interpolate_value_and_deriv(...) method of builtins.PyCapsule instance
interpolate_value_and_deriv(potential : ObjexxFCL::FArray1D<double>, bin_width : float, r : float, value : float, deriv : float) -> NoneType
 
//////////////////////////////////////////////////////////////////////////////////////
invert_exclude_residues(...) method of builtins.PyCapsule instance
invert_exclude_residues(*args, **kwargs)
Overloaded function.
 
1. invert_exclude_residues(nres : int, exclude_list : rosetta.utility.vector1_int,  : rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t) -> NoneType
 
2. invert_exclude_residues(nres : int, exclude_list : rosetta.utility.vector1_int) -> rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t
is_heavyatom(...) method of builtins.PyCapsule instance
is_heavyatom(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
is_ligand_heavyatom(...) method of builtins.PyCapsule instance
is_ligand_heavyatom(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
is_ligand_heavyatom_residues(...) method of builtins.PyCapsule instance
is_ligand_heavyatom_residues(residue1 : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue, atomno : int) -> bool
is_nbr_atom(...) method of builtins.PyCapsule instance
is_nbr_atom(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
is_non_peptide_heavy_atom(...) method of builtins.PyCapsule instance
is_non_peptide_heavy_atom(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
 
Return true if the pose residues and atoms specified are non-peptide heavy atoms.
is_polymer_heavyatom(...) method of builtins.PyCapsule instance
is_polymer_heavyatom(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
is_protein_CA(...) method of builtins.PyCapsule instance
is_protein_CA(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
 
///////////////////////////////////////////////////////////////////////////
is_protein_CA_or_CB(...) method of builtins.PyCapsule instance
is_protein_CA_or_CB(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
is_protein_backbone(...) method of builtins.PyCapsule instance
is_protein_backbone(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
is_protein_backbone_including_O(...) method of builtins.PyCapsule instance
is_protein_backbone_including_O(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
is_protein_sidechain_heavyatom(...) method of builtins.PyCapsule instance
is_protein_sidechain_heavyatom(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
is_scatom(...) method of builtins.PyCapsule instance
is_scatom(pose1 : rosetta.core.pose.Pose,  : rosetta.core.pose.Pose, resno : int, atomno : int) -> bool
list_read_options_in_get_score_function(...) method of builtins.PyCapsule instance
list_read_options_in_get_score_function(opts : rosetta.std.list_utility_keys_VariantKey_utility_options_OptionKey_std_allocator_utility_keys_VariantKey_utility_options_OptionKey_t) -> NoneType
 
A documentation function which reports the set of options read by get_score_function.
list_read_options_in_get_score_function_legacy(...) method of builtins.PyCapsule instance
list_read_options_in_get_score_function_legacy(opts : rosetta.std.list_utility_keys_VariantKey_utility_options_OptionKey_std_allocator_utility_keys_VariantKey_utility_options_OptionKey_t) -> NoneType
 
A documentation function which reports the set of options read by get_score_function_legacy.
name_from_score_type(...) method of builtins.PyCapsule instance
name_from_score_type(score_type : rosetta.core.scoring.ScoreType) -> str
 
Returns the name of the ScoreType  <score_type>
 
 example(s):
     name_from_score_type(fa_sol)
 See also:
     ScoreFunction
     ScoreType
     Energies
     Energies.residue_total_energies
     score_type_from_name
native_CA_gdtmm(...) method of builtins.PyCapsule instance
native_CA_gdtmm(native_pose : rosetta.core.pose.Pose, pose : rosetta.core.pose.Pose) -> float
native_CA_rmsd(...) method of builtins.PyCapsule instance
native_CA_rmsd(native_pose : rosetta.core.pose.Pose, pose : rosetta.core.pose.Pose) -> float
nbr_atom_rmsd(...) method of builtins.PyCapsule instance
nbr_atom_rmsd(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> float
non_peptide_heavy_atom_RMSD(...) method of builtins.PyCapsule instance
non_peptide_heavy_atom_RMSD(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> float
 
Return the RMSD of the non-peptide heavy atoms of two poses.
nonconst_MembraneEmbed_from_pose(...) method of builtins.PyCapsule instance
nonconst_MembraneEmbed_from_pose(pose : rosetta.core.pose.Pose) -> rosetta.core.scoring.MembraneEmbed
 
Add Non Const Membrane Embedding to the pose cache
nonconst_MembraneTopology_from_pose(...) method of builtins.PyCapsule instance
nonconst_MembraneTopology_from_pose(pose : rosetta.core.pose.Pose) -> rosetta.core.scoring.MembraneTopology
nonconst_Membrane_FAEmbed_from_pose(...) method of builtins.PyCapsule instance
nonconst_Membrane_FAEmbed_from_pose( : rosetta.core.pose.Pose) -> rosetta.core.scoring.Membrane_FAEmbed
 
Grab Const MP Fa embedding data from the pose cache
normalizing_area(...) method of builtins.PyCapsule instance
normalizing_area(res : str) -> float
residue_sc_rmsd_no_super(...) method of builtins.PyCapsule instance
residue_sc_rmsd_no_super(*args, **kwargs)
Overloaded function.
 
1. residue_sc_rmsd_no_super(res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue) -> float
 
utility function to calculate per-residue sidechain rmsd without superposition
 
2. residue_sc_rmsd_no_super(res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, fxnal_group_only : bool) -> float
 
utility function to calculate per-residue sidechain rmsd without superposition
retrieve_CSA_from_pose(...) method of builtins.PyCapsule instance
retrieve_CSA_from_pose(*args, **kwargs)
Overloaded function.
 
1. retrieve_CSA_from_pose( : rosetta.core.pose.Pose) -> core::scoring::ChemicalShiftAnisotropy
 
2. retrieve_CSA_from_pose( : rosetta.core.pose.Pose) -> core::scoring::ChemicalShiftAnisotropy
retrieve_DC_from_pose(...) method of builtins.PyCapsule instance
retrieve_DC_from_pose(*args, **kwargs)
Overloaded function.
 
1. retrieve_DC_from_pose( : rosetta.core.pose.Pose) -> core::scoring::DipolarCoupling
 
2. retrieve_DC_from_pose( : rosetta.core.pose.Pose) -> core::scoring::DipolarCoupling
retrieve_RDC_ROHL_from_pose(...) method of builtins.PyCapsule instance
retrieve_RDC_ROHL_from_pose(*args, **kwargs)
Overloaded function.
 
1. retrieve_RDC_ROHL_from_pose( : rosetta.core.pose.Pose) -> core::scoring::ResidualDipolarCoupling_Rohl
 
2. retrieve_RDC_ROHL_from_pose( : rosetta.core.pose.Pose) -> core::scoring::ResidualDipolarCoupling_Rohl
retrieve_RDC_from_pose(...) method of builtins.PyCapsule instance
retrieve_RDC_from_pose(*args, **kwargs)
Overloaded function.
 
1. retrieve_RDC_from_pose( : rosetta.core.pose.Pose) -> core::scoring::ResidualDipolarCoupling
 
2. retrieve_RDC_from_pose( : rosetta.core.pose.Pose) -> core::scoring::ResidualDipolarCoupling
rms_at_all_corresponding_atoms(...) method of builtins.PyCapsule instance
rms_at_all_corresponding_atoms(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_id_map : rosetta.std.map_core_id_AtomID_core_id_AtomID) -> float
rms_at_corresponding_atoms(...) method of builtins.PyCapsule instance
rms_at_corresponding_atoms(*args, **kwargs)
Overloaded function.
 
1. rms_at_corresponding_atoms(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_id_map : rosetta.std.map_core_id_AtomID_core_id_AtomID) -> float
 
2. rms_at_corresponding_atoms(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_id_map : rosetta.std.map_core_id_AtomID_core_id_AtomID, calc_rms_res : rosetta.utility.vector1_unsigned_long) -> float
rms_at_corresponding_atoms_no_super(...) method of builtins.PyCapsule instance
rms_at_corresponding_atoms_no_super(*args, **kwargs)
Overloaded function.
 
1. rms_at_corresponding_atoms_no_super(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_id_map : rosetta.std.map_core_id_AtomID_core_id_AtomID) -> float
 
2. rms_at_corresponding_atoms_no_super(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_id_map : rosetta.std.map_core_id_AtomID_core_id_AtomID, calc_rms_res : rosetta.utility.vector1_unsigned_long) -> float
rms_at_corresponding_heavy_atoms(...) method of builtins.PyCapsule instance
rms_at_corresponding_heavy_atoms(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose) -> float
score_type_from_name(...) method of builtins.PyCapsule instance
score_type_from_name(name : str) -> rosetta.core.scoring.ScoreType
 
Returns the ScoreType titled  <name>
 
 example(s):
     score_type_from_name("fa_sol")
 See also:
     ScoreFunction
     ScoreType
     Energies
     Energies.residue_total_energies
     name_from_score_type
setup_matching_CA_atoms(...) method of builtins.PyCapsule instance
setup_matching_CA_atoms(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, atom_id_map : rosetta.std.map_core_id_AtomID_core_id_AtomID) -> NoneType
setup_matching_atoms_with_given_names(...) method of builtins.PyCapsule instance
setup_matching_atoms_with_given_names(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, atom_names_to_find : rosetta.utility.vector1_std_string, atom_id_map : rosetta.std.map_core_id_AtomID_core_id_AtomID) -> NoneType
setup_matching_heavy_atoms(...) method of builtins.PyCapsule instance
setup_matching_heavy_atoms(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, atom_id_map : rosetta.std.map_core_id_AtomID_core_id_AtomID) -> NoneType
setup_matching_protein_backbone_heavy_atoms(...) method of builtins.PyCapsule instance
setup_matching_protein_backbone_heavy_atoms(pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, atom_id_map : rosetta.std.map_core_id_AtomID_core_id_AtomID) -> NoneType
store_CSA_in_pose(...) method of builtins.PyCapsule instance
store_CSA_in_pose( : core::scoring::ChemicalShiftAnisotropy,  : rosetta.core.pose.Pose) -> NoneType
store_DC_in_pose(...) method of builtins.PyCapsule instance
store_DC_in_pose( : core::scoring::DipolarCoupling,  : rosetta.core.pose.Pose) -> NoneType
store_RDC_ROHL_in_pose(...) method of builtins.PyCapsule instance
store_RDC_ROHL_in_pose( : core::scoring::ResidualDipolarCoupling_Rohl,  : rosetta.core.pose.Pose) -> NoneType
store_RDC_in_pose(...) method of builtins.PyCapsule instance
store_RDC_in_pose( : core::scoring::ResidualDipolarCoupling,  : rosetta.core.pose.Pose) -> NoneType
superimpose_pose(...) method of builtins.PyCapsule instance
superimpose_pose(*args, **kwargs)
Overloaded function.
 
1. superimpose_pose(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_map : rosetta.std.map_core_id_AtomID_core_id_AtomID) -> float
 
Superimpose mod_pose onto ref_pose using the mapping of atoms from
 mod_pose to ref_pose given by map< AtomID, AtomID >
 
 
 The rms_calc_offset_val is a small constant value used by the numerical machinery to ensure a nonzero determinant.  This defaults to 1.0e-7.  Realign determines whether this is subtracted off again (default false).
 
2. superimpose_pose(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_map : rosetta.std.map_core_id_AtomID_core_id_AtomID, rms_calc_offset_val : float) -> float
 
Superimpose mod_pose onto ref_pose using the mapping of atoms from
 mod_pose to ref_pose given by map< AtomID, AtomID >
 
 
 The rms_calc_offset_val is a small constant value used by the numerical machinery to ensure a nonzero determinant.  This defaults to 1.0e-7.  Realign determines whether this is subtracted off again (default false).
 
3. superimpose_pose(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_map : rosetta.std.map_core_id_AtomID_core_id_AtomID, rms_calc_offset_val : float, realign : bool) -> float
 
Superimpose mod_pose onto ref_pose using the mapping of atoms from
 mod_pose to ref_pose given by map< AtomID, AtomID >
 
 
 The rms_calc_offset_val is a small constant value used by the numerical machinery to ensure a nonzero determinant.  This defaults to 1.0e-7.  Realign determines whether this is subtracted off again (default false).
 
4. superimpose_pose(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_map : rosetta.core.id.AtomID_Map_core_id_AtomID_t) -> float
 
Superimpose mod_pose onto ref_pose using the mapping of atoms from
 mod_pose to ref_pose given by atom_map
 
 
 The rms_calc_offset_val is a small constant value used by the numerical machinery to ensure a nonzero determinant.  This defaults to 1.0e-7. Realign determines whether this is subtracted off again (default false).
 
5. superimpose_pose(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_map : rosetta.core.id.AtomID_Map_core_id_AtomID_t, rms_calc_offset_val : float) -> float
 
Superimpose mod_pose onto ref_pose using the mapping of atoms from
 mod_pose to ref_pose given by atom_map
 
 
 The rms_calc_offset_val is a small constant value used by the numerical machinery to ensure a nonzero determinant.  This defaults to 1.0e-7. Realign determines whether this is subtracted off again (default false).
 
6. superimpose_pose(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.Pose, atom_map : rosetta.core.id.AtomID_Map_core_id_AtomID_t, rms_calc_offset_val : float, realign : bool) -> float
 
Superimpose mod_pose onto ref_pose using the mapping of atoms from
 mod_pose to ref_pose given by atom_map
 
 
 The rms_calc_offset_val is a small constant value used by the numerical machinery to ensure a nonzero determinant.  This defaults to 1.0e-7. Realign determines whether this is subtracted off again (default false).
 
7. superimpose_pose(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.MiniPose, atom_map : rosetta.core.id.AtomID_Map_core_id_AtomID_t) -> float
 
Superimpose mod_pose onto ref_pose using the mapping of atoms from
 mod_pose to ref_pose given by atom_map
 
 
 The rms_calc_offset_val is a small constant value used by the numerical machinery to ensure a nonzero determinant.  This defaults to 1.0e-7.  Realign determines whether this is subtracted off again (default false).
 
8. superimpose_pose(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.MiniPose, atom_map : rosetta.core.id.AtomID_Map_core_id_AtomID_t, rms_calc_offset_val : float) -> float
 
Superimpose mod_pose onto ref_pose using the mapping of atoms from
 mod_pose to ref_pose given by atom_map
 
 
 The rms_calc_offset_val is a small constant value used by the numerical machinery to ensure a nonzero determinant.  This defaults to 1.0e-7.  Realign determines whether this is subtracted off again (default false).
 
9. superimpose_pose(mod_pose : rosetta.core.pose.Pose, ref_pose : rosetta.core.pose.MiniPose, atom_map : rosetta.core.id.AtomID_Map_core_id_AtomID_t, rms_calc_offset_val : float, realign : bool) -> float
 
Superimpose mod_pose onto ref_pose using the mapping of atoms from
 mod_pose to ref_pose given by atom_map
 
 
 The rms_calc_offset_val is a small constant value used by the numerical machinery to ensure a nonzero determinant.  This defaults to 1.0e-7.  Realign determines whether this is subtracted off again (default false).
xyz_gdtmm(...) method of builtins.PyCapsule instance
xyz_gdtmm(*args, **kwargs)
Overloaded function.
 
1. xyz_gdtmm(p1a : ObjexxFCL::FArray2D<double>, p2a : ObjexxFCL::FArray2D<double>, m_1_1 : float, m_2_2 : float, m_3_3 : float, m_4_3 : float, m_7_4 : float) -> float
 
Calculate gdtmm based on the given sets of xyz coordinates in p1a and p2a.
 
2. xyz_gdtmm(p1a : ObjexxFCL::FArray2D<double>, p2a : ObjexxFCL::FArray2D<double>) -> float
 
Calculate gdtmm based on the given sets of xyz coordinates in p1a and p2a.
xyz_gdttm(...) method of builtins.PyCapsule instance
xyz_gdttm(p1a : ObjexxFCL::FArray2D<double>, p2a : ObjexxFCL::FArray2D<double>, gdttm_score : float, gdtha_score : float) -> NoneType
xyz_maxsub(...) method of builtins.PyCapsule instance
xyz_maxsub(p1a : ObjexxFCL::FArray2D<double>, p2a : ObjexxFCL::FArray2D<double>, natoms : int) -> int

 
Data
        CHI1 = ProteinTorsion.CHI1
CHI2 = ProteinTorsion.CHI2
CHI3 = ProteinTorsion.CHI3
CHI4 = ProteinTorsion.CHI4
DFIRE = ScoreType.DFIRE
FaMPEnv = ScoreType.FaMPEnv
FaMPEnvSmooth = ScoreType.FaMPEnvSmooth
FaMPSolv = ScoreType.FaMPSolv
Hpol_bond_geometry = ScoreType.Hpol_bond_geometry
MPCbeta = ScoreType.MPCbeta
MPEnv = ScoreType.MPEnv
MPLipo = ScoreType.MPLipo
MPNonHelix = ScoreType.MPNonHelix
MPPair = ScoreType.MPPair
MPTMProj = ScoreType.MPTMProj
MPTermini = ScoreType.MPTermini
Mcbeta = ScoreType.Mcbeta
Menv = ScoreType.Menv
Menv_non_helix = ScoreType.Menv_non_helix
Menv_smooth = ScoreType.Menv_smooth
Menv_termini = ScoreType.Menv_termini
Menv_tm_proj = ScoreType.Menv_tm_proj
Mlipo = ScoreType.Mlipo
Mpair = ScoreType.Mpair
OMEGA = ProteinTorsion.OMEGA
PB_elec = ScoreType.PB_elec
PHI = ProteinTorsion.PHI
PSI = ProteinTorsion.PSI
ProQ = ScoreType.ProQ
ProQM = ScoreType.ProQM
PyRosettaEnergy_first = ScoreType.PyRosettaEnergy_first
PyRosettaEnergy_last = ScoreType.PyRosettaEnergy_last
PyRosettaTwoBodyContextDependentEnergy_first = ScoreType.PyRosettaTwoBodyContextDependentEnergy_first
PyRosettaTwoBodyContextDependentEnergy_last = ScoreType.PyRosettaTwoBodyContextDependentEnergy_last
PyRosettaTwoBodyContextIndepenedentEnergy_first = ScoreType.PyRosettaTwoBodyContextIndepenedentEnergy_first
PyRosettaTwoBodyContextIndepenedentEnergy_last = ScoreType.PyRosettaTwoBodyContextIndepenedentEnergy_last
aa_cmp = ScoreType.aa_cmp
aa_composition = ScoreType.aa_composition
aa_repeat = ScoreType.aa_repeat
abego = ScoreType.abego
angle_constraint = ScoreType.angle_constraint
atom_pair_constraint = ScoreType.atom_pair_constraint
backbone_stub_constraint = ScoreType.backbone_stub_constraint
backbone_stub_linear_constraint = ScoreType.backbone_stub_linear_constraint
base_pair_constraint = ScoreType.base_pair_constraint
big_bin_constraint = ScoreType.big_bin_constraint
bisector = MultipoleAxisType.bisector
bond_geometry = ScoreType.bond_geometry
burial = ScoreType.burial
cart_bonded = ScoreType.cart_bonded
cart_bonded_angle = ScoreType.cart_bonded_angle
cart_bonded_length = ScoreType.cart_bonded_length
cart_bonded_torsion = ScoreType.cart_bonded_torsion
cbeta = ScoreType.cbeta
cbeta_smooth = ScoreType.cbeta_smooth
cen_env_smooth = ScoreType.cen_env_smooth
cen_hb = ScoreType.cen_hb
cen_pair_motif_degree = ScoreType.cen_pair_motif_degree
cen_pair_motifs = ScoreType.cen_pair_motifs
cen_pair_smooth = ScoreType.cen_pair_smooth
cen_rot_cbeta = ScoreType.cen_rot_cbeta
cen_rot_dun = ScoreType.cen_rot_dun
cen_rot_env = ScoreType.cen_rot_env
cen_rot_pair = ScoreType.cen_rot_pair
cen_rot_pair_ang = ScoreType.cen_rot_pair_ang
cen_rot_pair_dih = ScoreType.cen_rot_pair_dih
cenpack = ScoreType.cenpack
cenpack_smooth = ScoreType.cenpack_smooth
centroid_neighbor_graph = ContextGraphType.num_context_graph_types
ch_bond = ScoreType.ch_bond
ch_bond_bb_bb = ScoreType.ch_bond_bb_bb
ch_bond_bb_sc = ScoreType.ch_bond_bb_sc
ch_bond_sc_sc = ScoreType.ch_bond_sc_sc
chainbreak = ScoreType.chainbreak
co = ScoreType.co
coarse_beadlj = ScoreType.coarse_beadlj
coarse_chainbreak_constraint = ScoreType.coarse_chainbreak_constraint
coarse_fa_atr = ScoreType.coarse_fa_atr
coarse_fa_rep = ScoreType.coarse_fa_rep
coarse_fa_sol = ScoreType.coarse_fa_sol
constant_constraint = ScoreType.constant_constraint
coordinate_constraint = ScoreType.coordinate_constraint
csa = ScoreType.csa
cst_res_data = min_single_data.cst_res_data
cst_respair_data = min_pair_data.cst_respair_data
custom_atom_pair = ScoreType.custom_atom_pair
d2h_sa = ScoreType.d2h_sa
dab_sasa = ScoreType.dab_sasa
dab_sev = ScoreType.dab_sev
dc = ScoreType.dc
dihedral_constraint = ScoreType.dihedral_constraint
distance_chainbreak = ScoreType.distance_chainbreak
dna_base_distance = ScoreType.dna_base_distance
dna_bb_torsion = ScoreType.dna_bb_torsion
dna_bp = ScoreType.dna_bp
dna_bs = ScoreType.dna_bs
dna_chi = ScoreType.dna_chi
dna_dihedral_bb = ScoreType.dna_dihedral_bb
dna_dihedral_chi = ScoreType.dna_dihedral_chi
dna_dihedral_sugar = ScoreType.dna_dihedral_sugar
dna_dr = ScoreType.dna_dr
dna_env = ScoreType.dna_env
dna_pair = ScoreType.dna_pair
dna_ref = ScoreType.dna_ref
dna_sugar_close = ScoreType.dna_sugar_close
dock_ens_conf = ScoreType.dock_ens_conf
dof_constraint = ScoreType.dof_constraint
dslf_ca_dih = ScoreType.dslf_ca_dih
dslf_cbs_ds = ScoreType.dslf_cbs_ds
dslf_cs_ang = ScoreType.dslf_cs_ang
dslf_fa13 = ScoreType.dslf_fa13
dslf_fa13_ref = ScoreType.dslf_fa13_ref
dslf_ss_dih = ScoreType.dslf_ss_dih
dslf_ss_dst = ScoreType.dslf_ss_dst
dslfc_RT = ScoreType.dslfc_RT
dslfc_ang = ScoreType.dslfc_ang
dslfc_bb_dih = ScoreType.dslfc_bb_dih
dslfc_cb_dih = ScoreType.dslfc_cb_dih
dslfc_cb_dst = ScoreType.dslfc_cb_dst
dslfc_cen_dst = ScoreType.dslfc_cen_dst
dslfc_rot = ScoreType.dslfc_rot
dslfc_trans = ScoreType.dslfc_trans
dummy_score_type = ScoreType.end_of_score_type_enumeration
dunbrack_constraint = ScoreType.dunbrack_constraint
e_pH = ScoreType.e_pH
elec_dens_atomwise = ScoreType.elec_dens_atomwise
elec_dens_fast = ScoreType.elec_dens_fast
elec_dens_whole_structure_allatom = ScoreType.elec_dens_whole_structure_allatom
elec_dens_whole_structure_ca = ScoreType.elec_dens_whole_structure_ca
elec_dens_window = ScoreType.elec_dens_window
elec_pair_nblist = min_pair_data.elec_pair_nblist
end_of_ramatable_type_list = Rama_Table_Type.end_of_ramatable_type_list
end_of_score_type_enumeration = ScoreType.end_of_score_type_enumeration
env = ScoreType.env
envsmooth = ScoreType.envsmooth
etab_classic_intrares_pair_nblist = min_pair_data.etab_classic_intrares_pair_nblist
etab_classic_intrares_single_nblist = min_single_data.etab_classic_intrares_single_nblist
etab_pair_nblist = min_pair_data.etab_pair_nblist
etab_single_nblist = min_single_data.etab_single_nblist
fa_atr = ScoreType.fa_atr
fa_atr_dummy = ScoreType.fa_atr_dummy
fa_atr_ref = ScoreType.fa_atr_ref
fa_cust_pair_dist = ScoreType.fa_cust_pair_dist
fa_custom_pair_dist_data = min_pair_data.fa_custom_pair_dist_data
fa_dslf_respair_data = min_pair_data.fa_dslf_respair_data
fa_dun = ScoreType.fa_dun
fa_dun_dev = ScoreType.fa_dun_dev
fa_dun_dev_ref = ScoreType.fa_dun_dev_ref
fa_dun_ref = ScoreType.fa_dun_ref
fa_dun_rot = ScoreType.fa_dun_rot
fa_dun_rot_ref = ScoreType.fa_dun_rot_ref
fa_dun_semi = ScoreType.fa_dun_semi
fa_dun_semi_ref = ScoreType.fa_dun_semi_ref
fa_elec = ScoreType.fa_elec
fa_elec_aro_all = ScoreType.fa_elec_aro_all
fa_elec_aro_aro = ScoreType.fa_elec_aro_aro
fa_elec_bb_bb = ScoreType.fa_elec_bb_bb
fa_elec_bb_sc = ScoreType.fa_elec_bb_sc
fa_elec_ref = ScoreType.fa_elec_ref
fa_elec_rna_base_base = ScoreType.fa_elec_rna_base_base
fa_elec_rna_base_base_fast = ScoreType.fa_elec_rna_base_base_fast
fa_elec_rna_phos_base = ScoreType.fa_elec_rna_phos_base
fa_elec_rna_phos_base_fast = ScoreType.fa_elec_rna_phos_base_fast
fa_elec_rna_phos_phos = ScoreType.fa_elec_rna_phos_phos
fa_elec_rna_phos_phos_fast = ScoreType.fa_elec_rna_phos_phos_fast
fa_elec_rna_phos_sugr = ScoreType.fa_elec_rna_phos_sugr
fa_elec_rna_phos_sugr_fast = ScoreType.fa_elec_rna_phos_sugr_fast
fa_elec_rna_sugr_base = ScoreType.fa_elec_rna_sugr_base
fa_elec_rna_sugr_base_fast = ScoreType.fa_elec_rna_sugr_base_fast
fa_elec_rna_sugr_sugr = ScoreType.fa_elec_rna_sugr_sugr
fa_elec_rna_sugr_sugr_fast = ScoreType.fa_elec_rna_sugr_sugr_fast
fa_elec_sc_sc = ScoreType.fa_elec_sc_sc
fa_grpelec = ScoreType.fa_grpelec
fa_intra_RNA_base_phos_atr = ScoreType.fa_intra_RNA_base_phos_atr
fa_intra_RNA_base_phos_rep = ScoreType.fa_intra_RNA_base_phos_rep
fa_intra_RNA_base_phos_sol = ScoreType.fa_intra_RNA_base_phos_sol
fa_intra_atr = ScoreType.fa_intra_atr
fa_intra_atr_ref = ScoreType.fa_intra_atr_ref
fa_intra_atr_xover4 = ScoreType.fa_intra_atr_xover4
fa_intra_rep = ScoreType.fa_intra_rep
fa_intra_rep_ref = ScoreType.fa_intra_rep_ref
fa_intra_rep_xover4 = ScoreType.fa_intra_rep_xover4
fa_intra_sol = ScoreType.fa_intra_sol
fa_intra_sol_ref = ScoreType.fa_intra_sol_ref
fa_intra_sol_xover4 = ScoreType.fa_intra_sol_xover4
fa_mbenv = ScoreType.fa_mbenv
fa_mbsolv = ScoreType.fa_mbsolv
fa_pair = ScoreType.fa_pair
fa_pair_aro_aro = ScoreType.fa_pair_aro_aro
fa_pair_aro_pol = ScoreType.fa_pair_aro_pol
fa_pair_pol_pol = ScoreType.fa_pair_pol_pol
fa_plane = ScoreType.fa_plane
fa_rep = ScoreType.fa_rep
fa_rep_dummy = ScoreType.fa_rep_dummy
fa_rep_ref = ScoreType.fa_rep_ref
fa_sasa = ScoreType.fa_sasa
fa_sol = ScoreType.fa_sol
fa_sol_dummy = ScoreType.fa_sol_dummy
fa_sol_ref = ScoreType.fa_sol_ref
fa_stack = ScoreType.fa_stack
fa_stack_aro = ScoreType.fa_stack_aro
fa_stack_ext = ScoreType.fa_stack_ext
fa_stack_lower = ScoreType.fa_stack_lower
fa_stack_lr = ScoreType.fa_stack_lr
fa_stack_sol = ScoreType.fa_stack_sol
fa_stack_upper = ScoreType.fa_stack_upper
fa_vdw_tinker = ScoreType.fa_vdw_tinker
facts_elec = ScoreType.facts_elec
facts_sasa = ScoreType.facts_sasa
facts_solv = ScoreType.facts_solv
fastsaxs = ScoreType.fastsaxs
fiberdiffraction = ScoreType.fiberdiffraction
fiberdiffractiondens = ScoreType.fiberdiffractiondens
flat_d_aa_ramatable = Rama_Table_Type.flat_d_aa_ramatable
flat_d_aa_ramatable_stringent = Rama_Table_Type.flat_d_aa_ramatable_stringent
flat_l_aa_ramatable = Rama_Table_Type.flat_l_aa_ramatable
flat_l_aa_ramatable_stringent = Rama_Table_Type.flat_l_aa_ramatable_stringent
flat_symm_dl_aa_ramatable = Rama_Table_Type.flat_symm_dl_aa_ramatable
flat_symm_dl_aa_ramatable_stringent = Rama_Table_Type.flat_symm_dl_aa_ramatable_stringent
flat_symm_gly_ramatable = Rama_Table_Type.flat_symm_gly_ramatable
flat_symm_gly_ramatable_stringent = Rama_Table_Type.flat_symm_gly_ramatable_stringent
flat_symm_pro_ramatable = Rama_Table_Type.flat_symm_pro_ramatable
flat_symm_pro_ramatable_stringent = Rama_Table_Type.flat_symm_pro_ramatable_stringent
free_2HOprime = ScoreType.free_2HOprime
free_base = ScoreType.free_base
free_dof = ScoreType.free_dof
free_res = ScoreType.free_res
free_side_chain = ScoreType.free_side_chain
free_suite = ScoreType.free_suite
gauss = ScoreType.gauss
gb_elec = ScoreType.gb_elec
geom_sol = ScoreType.geom_sol
geom_sol_fast = ScoreType.geom_sol_fast
geom_sol_fast_intra_RNA = ScoreType.geom_sol_fast_intra_RNA
geom_sol_intra_RNA = ScoreType.geom_sol_intra_RNA
geom_solv_pair_nblist = min_pair_data.geom_solv_pair_nblist
goap = ScoreType.goap
goap_angle = ScoreType.goap_angle
goap_dist = ScoreType.goap_dist
grid_vdw = ScoreType.grid_vdw
h2o_hbond = ScoreType.h2o_hbond
h2o_intra = ScoreType.h2o_intra
hack_aro = ScoreType.hack_aro
hbond = ScoreType.hbond
hbond_bb_sc = ScoreType.hbond_bb_sc
hbond_intra = ScoreType.hbond_intra
hbond_lr_bb = ScoreType.hbond_lr_bb
hbond_lr_bb_sc = ScoreType.hbond_lr_bb_sc
hbond_ref = ScoreType.hbond_ref
hbond_res_data = min_single_data.n_min_single_data
hbond_respair_data = min_pair_data.n_min_pair_data
hbond_sc = ScoreType.hbond_sc
hbond_sr_bb = ScoreType.hbond_sr_bb
hbond_sr_bb_sc = ScoreType.hbond_sr_bb_sc
hoh_ref = ScoreType.hoh_ref
holes = ScoreType.holes
holes_decoy = ScoreType.holes_decoy
holes_min = ScoreType.holes_min
holes_min_mean = ScoreType.holes_min_mean
holes_resl = ScoreType.holes_resl
hpatch = ScoreType.hpatch
hs_pair = ScoreType.hs_pair
hybrid_vdw = ScoreType.hybrid_vdw
interchain_contact = ScoreType.interchain_contact
interchain_env = ScoreType.interchain_env
interchain_pair = ScoreType.interchain_pair
interchain_vdw = ScoreType.n_shortranged_2b_score_types
interface_dd_pair = ScoreType.interface_dd_pair
intermol = ScoreType.intermol
linear_chainbreak = ScoreType.linear_chainbreak
lk_PolarNonPolar_pair_nblist = min_pair_data.lk_PolarNonPolar_pair_nblist
lk_ball = ScoreType.lk_ball
lk_ball_iso = ScoreType.lk_ball_iso
lk_ball_wtd = ScoreType.lk_ball_wtd
lk_costheta = ScoreType.lk_costheta
lk_hack = ScoreType.lk_hack
lk_nonpolar = ScoreType.lk_nonpolar
lk_nonpolar_intra_RNA = ScoreType.lk_nonpolar_intra_RNA
lk_polar = ScoreType.lk_polar
lk_polar_intra_RNA = ScoreType.lk_polar_intra_RNA
lkb_res_data = min_single_data.lkb_res_data
lkb_respair_data = min_pair_data.lkb_respair_data
loop_close = ScoreType.loop_close
metalbinding_constraint = ScoreType.metalbinding_constraint
metalhash_constraint = ScoreType.metalhash_constraint
mg = ScoreType.mg
mg_lig = ScoreType.mg_lig
mg_pair_nblist = min_pair_data.mg_pair_nblist
mg_ref = ScoreType.mg_ref
mg_sol = ScoreType.mg_sol
missing_res = ScoreType.missing_res
mm_bend = ScoreType.mm_bend
mm_lj_inter_atr = ScoreType.mm_lj_inter_atr
mm_lj_inter_rep = ScoreType.mm_lj_inter_rep
mm_lj_intra_atr = ScoreType.mm_lj_intra_atr
mm_lj_intra_atr_ref = ScoreType.mm_lj_intra_atr_ref
mm_lj_intra_nblist = min_single_data.mm_lj_intra_nblist
mm_lj_intra_rep = ScoreType.mm_lj_intra_rep
mm_lj_intra_rep_ref = ScoreType.mm_lj_intra_rep_ref
mm_stretch = ScoreType.mm_stretch
mm_twist = ScoreType.mm_twist
mm_twist_ref = ScoreType.mm_twist_ref
mp_res_data = min_single_data.mp_res_data
mp_respair_data = min_pair_data.mp_respair_data
multipole_elec = ScoreType.multipole_elec
n_ci_2b_score_types = ScoreType.n_ci_2b_score_types
n_min_pair_data = min_pair_data.n_min_pair_data
n_min_single_data = min_single_data.n_min_single_data
n_score_types = ScoreType.end_of_score_type_enumeration
n_shortranged_2b_score_types = ScoreType.n_shortranged_2b_score_types
natbias_hh = ScoreType.natbias_hh
natbias_hs = ScoreType.natbias_hs
natbias_ss = ScoreType.natbias_ss
natbias_stwist = ScoreType.natbias_stwist
neigh_count = ScoreType.neigh_count
neigh_vect = ScoreType.neigh_vect
neigh_vect_raw = ScoreType.neigh_vect_raw
nmer_pssm = ScoreType.nmer_pssm
nmer_ref = ScoreType.nmer_ref
nmer_svm = ScoreType.nmer_svm
none = MultipoleAxisType.none
num_context_graph_types = ContextGraphType.num_context_graph_types
occ_sol_exact = ScoreType.occ_sol_exact
occ_sol_fitted = ScoreType.occ_sol_fitted
occ_sol_fitted_onebody = ScoreType.occ_sol_fitted_onebody
omega = ScoreType.omega
omega_ref = ScoreType.omega_ref
orbitals_hpol_bb = ScoreType.orbitals_hpol_bb
other_pose = ScoreType.other_pose
overlap_chainbreak = ScoreType.overlap_chainbreak
p_aa = ScoreType.p_aa
p_aa_pp = ScoreType.p_aa_pp
p_aa_pp_ref = ScoreType.p_aa_pp_ref
p_aa_ss = ScoreType.p_aa_ss
pack_stat = ScoreType.pack_stat
pair = ScoreType.pair
pci_cation_pi = ScoreType.pci_cation_pi
pci_hbond = ScoreType.pci_hbond
pci_pi_pi = ScoreType.pci_pi_pi
pci_salt_bridge = ScoreType.pci_salt_bridge
pcs = ScoreType.pcs
pcs2 = ScoreType.pcs2
pcsTs1 = ScoreType.pcsTs1
pcsTs2 = ScoreType.pcsTs2
pcsTs3 = ScoreType.pcsTs3
pcsTs4 = ScoreType.pcsTs4
pddf_score = ScoreType.pddf_score
peptide_bond = ScoreType.peptide_bond
pocket_constraint = ScoreType.pocket_constraint
pro_close = ScoreType.pro_close
pro_close_ref = ScoreType.pro_close_ref
protein_torsion_end = ProteinTorsion.protein_torsion_end
python = ScoreType.n_ci_2b_score_types
rama = ScoreType.rama
rama2b = ScoreType.rama2b
rama_prepro = ScoreType.rama_prepro
rama_ref = ScoreType.rama_ref
rdc = ScoreType.rdc
rdc_rohl = ScoreType.rdc_rohl
rdc_segments = ScoreType.rdc_segments
ref = ScoreType.ref
ref_nc = ScoreType.ref_nc
res_type_constraint = ScoreType.res_type_constraint
res_type_linking_constraint = ScoreType.res_type_linking_constraint
rg = ScoreType.rg
rg_local = ScoreType.rg_local
ring_close = ScoreType.ring_close
rms = ScoreType.rms
rna_backbone_backbone = ScoreType.rna_backbone_backbone
rna_base_axis = ScoreType.rna_base_axis
rna_base_axis_pairwise = ScoreType.rna_base_axis_pairwise
rna_base_backbone = ScoreType.rna_base_backbone
rna_base_pair = ScoreType.rna_base_pair
rna_base_pair_pairwise = ScoreType.rna_base_pair_pairwise
rna_base_stack = ScoreType.rna_base_stack
rna_base_stack_axis = ScoreType.rna_base_stack_axis
rna_base_stack_axis_pairwise = ScoreType.rna_base_stack_axis_pairwise
rna_base_stack_pairwise = ScoreType.rna_base_stack_pairwise
rna_base_stagger = ScoreType.rna_base_stagger
rna_base_stagger_pairwise = ScoreType.rna_base_stagger_pairwise
rna_bond_geometry = ScoreType.rna_bond_geometry
rna_bulge = ScoreType.rna_bulge
rna_chem_map = ScoreType.rna_chem_map
rna_chem_map_lores = ScoreType.rna_chem_map_lores
rna_chem_shift = ScoreType.rna_chem_shift
rna_data_backbone = ScoreType.rna_data_backbone
rna_data_base = ScoreType.rna_data_base
rna_fa_atr_base = ScoreType.rna_fa_atr_base
rna_fa_rep_base = ScoreType.rna_fa_rep_base
rna_jr_suite = ScoreType.rna_jr_suite
rna_mg_point = ScoreType.rna_mg_point
rna_mg_point_indirect = ScoreType.rna_mg_point_indirect
rna_repulsive = ScoreType.rna_repulsive
rna_rg = ScoreType.rna_rg
rna_sugar_close = ScoreType.rna_sugar_close
rna_suite = ScoreType.rna_suite
rna_torsion = ScoreType.rna_torsion
rna_torsion_sc = ScoreType.rna_torsion_sc
rna_vdw = ScoreType.rna_vdw
rsigma = ScoreType.rsigma
sa = ScoreType.sa
saxs_cen_score = ScoreType.saxs_cen_score
saxs_fa_score = ScoreType.saxs_fa_score
saxs_score = ScoreType.saxs_score
seqdep_ref = ScoreType.seqdep_ref
sheet = ScoreType.sheet
sidechain_neighbors = ScoreType.sidechain_neighbors
site_constraint = ScoreType.site_constraint
special_rot = ScoreType.special_rot
split_unfolded_two_body = ScoreType.split_unfolded_two_body
ss_contact_worst = ScoreType.ss_contact_worst
ss_pair = ScoreType.ss_pair
stack_elec = ScoreType.stack_elec
stack_elec_base_base = ScoreType.stack_elec_base_base
stack_elec_base_bb = ScoreType.stack_elec_base_bb
suck = ScoreType.suck
sugar_bb = ScoreType.sugar_bb
suiteness_bonus = ScoreType.suiteness_bonus
surface = ScoreType.surface
symE_bonus = ScoreType.symE_bonus
sym_lig = ScoreType.sym_lig
ten_A_neighbor_graph = ContextGraphType.ten_A_neighbor_graph
three_fold = MultipoleAxisType.three_fold
total_score = ScoreType.total_score
twelve_A_neighbor_graph = ContextGraphType.twelve_A_neighbor_graph
unfolded = ScoreType.unfolded
unknown_ramatable_type = Rama_Table_Type.end_of_ramatable_type_list
vdw = ScoreType.vdw
vdw_res_data = min_single_data.vdw_res_data
vdw_respair_data = min_pair_data.vdw_respair_data
xtal_ml = ScoreType.xtal_ml
xtal_rfree = ScoreType.xtal_rfree
xtal_rwork = ScoreType.xtal_rwork
yhh_planarity = ScoreType.yhh_planarity
z_axis_only = MultipoleAxisType.z_axis_only
z_then_bisector = MultipoleAxisType.z_then_bisector
z_then_x = MultipoleAxisType.z_then_x