rosetta.core.scoring.elec
index
(built-in)

Bindings for core::scoring::elec namespace

 
Classes
       
builtins.object
ElecGroup
GroupElec
weight_triple
rosetta.basic.datacache.CacheableData(builtins.object)
FAElecContextData
rosetta.core.conformation.Atom(builtins.object)
ElecAtom
rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy(rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy)
FA_GrpElecEnergy
rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy(rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy)
FA_ElecEnergy
FA_ElecEnergyAroAll
FA_ElecEnergyAroAro
RNA_FA_ElecEnergy
rosetta.core.scoring.methods.EnergyMethodCreator(builtins.object)
FA_ElecEnergyAroAllCreator
FA_ElecEnergyAroAroCreator
FA_ElecEnergyCreator
FA_GrpElecEnergyCreator
RNA_FA_ElecEnergyCreator

 
class ElecAtom(rosetta.core.conformation.Atom)
    
Method resolution order:
ElecAtom
rosetta.core.conformation.Atom
builtins.object

Methods defined here:
__eq__(...) from builtins.PyCapsule
__eq__(self : rosetta.core.scoring.elec.ElecAtom, other : rosetta.core.scoring.elec.ElecAtom) -> bool
 
equality operator for shared-prefix detection
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.core.scoring.elec.ElecAtom) -> NoneType
 
2. __init__(self : rosetta.core.scoring.elec.ElecAtom, res : rosetta.core.conformation.Residue, atom_index : 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.elec.ElecAtom) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.elec.ElecAtom,  : rosetta.core.scoring.elec.ElecAtom) -> rosetta.core.scoring.elec.ElecAtom
atom_type(...) from builtins.PyCapsule
atom_type(*args, **kwargs)
Overloaded function.
 
1. atom_type(rosetta.core.scoring.elec.ElecAtom) -> int
 
deprecated!
 
2. atom_type(self : rosetta.core.scoring.elec.ElecAtom, setting : int) -> NoneType
 
deprecated!
charge(...) from builtins.PyCapsule
charge(*args, **kwargs)
Overloaded function.
 
1. charge(rosetta.core.scoring.elec.ElecAtom) -> float
 
2. charge(self : rosetta.core.scoring.elec.ElecAtom, setting : float) -> NoneType
is_hydrogen(...) from builtins.PyCapsule
is_hydrogen(*args, **kwargs)
Overloaded function.
 
1. is_hydrogen(rosetta.core.scoring.elec.ElecAtom) -> bool
 
property required by RotamerTrie class
 
2. is_hydrogen(self : rosetta.core.scoring.elec.ElecAtom, setting : bool) -> NoneType
 
setter method for data required by RotamerTrie class
isbb(...) from builtins.PyCapsule
isbb(rosetta.core.scoring.elec.ElecAtom) -> bool
print(...) from builtins.PyCapsule
print(rosetta.core.scoring.elec.ElecAtom) -> NoneType
 
send a description of the atom to standard out

Methods inherited from rosetta.core.conformation.Atom:
mm_type(...) from builtins.PyCapsule
mm_type(*args, **kwargs)
Overloaded function.
 
1. mm_type(self : rosetta.core.conformation.Atom, mm_type_in : int) -> NoneType
 
set the mm atom type number
 
2. mm_type(rosetta.core.conformation.Atom) -> int
 
get the mm atom type number
type(...) from builtins.PyCapsule
type(*args, **kwargs)
Overloaded function.
 
1. type(self : rosetta.core.conformation.Atom, type_in : int) -> NoneType
 
set the atom type number
 
2. type(rosetta.core.conformation.Atom) -> int
 
Returns the AtomType number
xyz(...) from builtins.PyCapsule
xyz(*args, **kwargs)
Overloaded function.
 
1. xyz(rosetta.core.conformation.Atom) -> rosetta.numeric.xyzVector_double_t
 
Returns the atom coordinates as an xyzVector
 
2. xyz(self : rosetta.core.conformation.Atom, xyz_in : rosetta.numeric.xyzVector_double_t) -> NoneType
 
Sets the atom coordinates using an xyzVector

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

Data descriptors defined here:
atms
comatms
n_acceptor
n_donor
qeps

 
class FAElecContextData(rosetta.basic.datacache.CacheableData)
    
Method resolution order:
FAElecContextData
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.elec.FAElecContextData) -> 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.elec.FAElecContextData,  : rosetta.core.scoring.elec.FAElecContextData) -> rosetta.core.scoring.elec.FAElecContextData
boundary_neighs(...) from builtins.PyCapsule
boundary_neighs(self : rosetta.core.scoring.elec.FAElecContextData, i : int) -> rosetta.utility.vector1_unsigned_long
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.elec.FAElecContextData) -> rosetta.basic.datacache.CacheableData
dw_dr(...) from builtins.PyCapsule
dw_dr(self : rosetta.core.scoring.elec.FAElecContextData, i : int) -> rosetta.numeric.xyzVector_double_t
get_boundary_neighs(...) from builtins.PyCapsule
get_boundary_neighs(self : rosetta.core.scoring.elec.FAElecContextData, i : int) -> rosetta.utility.vector1_unsigned_long
get_dw_dr(...) from builtins.PyCapsule
get_dw_dr(self : rosetta.core.scoring.elec.FAElecContextData, i : int) -> rosetta.numeric.xyzVector_double_t
get_n(...) from builtins.PyCapsule
get_n(self : rosetta.core.scoring.elec.FAElecContextData, i : int) -> float
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.elec.FAElecContextData, nres : int) -> NoneType
n(...) from builtins.PyCapsule
n(self : rosetta.core.scoring.elec.FAElecContextData, i : int) -> 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 FA_ElecEnergy(rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy)
    
Method resolution order:
FA_ElecEnergy
rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy
rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy
rosetta.core.scoring.methods.TwoBodyEnergy
rosetta.core.scoring.methods.EnergyMethod
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, options : rosetta.core.scoring.methods.EnergyMethodOptions) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.elec.FA_ElecEnergy) -> 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.elec.FA_ElecEnergy,  : rosetta.core.scoring.elec.FA_ElecEnergy) -> rosetta.core.scoring.elec.FA_ElecEnergy
atomic_interaction_cutoff(...) from builtins.PyCapsule
atomic_interaction_cutoff(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
backbone_backbone_energy(...) from builtins.PyCapsule
backbone_backbone_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
backbone_sidechain_energy(...) from builtins.PyCapsule
backbone_sidechain_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.elec.FA_ElecEnergy) -> rosetta.core.scoring.methods.EnergyMethod
 
clone
defines_intrares_energy(...) from builtins.PyCapsule
defines_intrares_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy,  : rosetta.core.scoring.EMapVector) -> bool
defines_score_for_residue_pair(...) from builtins.PyCapsule
defines_score_for_residue_pair(self : rosetta.core.scoring.elec.FA_ElecEnergy, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, res_moving_wrt_eachother : bool) -> bool
divides_backbone_and_sidechain_energetics(...) from builtins.PyCapsule
divides_backbone_and_sidechain_energetics(rosetta.core.scoring.elec.FA_ElecEnergy) -> bool
elec_weight(...) from builtins.PyCapsule
elec_weight(*args, **kwargs)
Overloaded function.
 
1. elec_weight(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1isbb : bool, at2isbb : bool) -> float
 
This has to go
 
2. elec_weight(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1isbb : bool, at2isbb : bool, wts : rosetta.core.scoring.elec.weight_triple) -> float
eval_atom_derivative(...) from builtins.PyCapsule
eval_atom_derivative(self : rosetta.core.scoring.elec.FA_ElecEnergy, atom_id : rosetta.core.id.AtomID, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>,  : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
 
Evaluate the derivative vectors for a particular atom in a given
 (asymmetric) pose when nblist_autoupdate is being used.  nblist_autoupdate
 cannot be used with symmetric poses, in rtmin, or in minpack.
eval_intrares_energy(...) from builtins.PyCapsule
eval_intrares_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
eval_residue_pair_derivatives(...) from builtins.PyCapsule
eval_residue_pair_derivatives(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue,  : rosetta.core.scoring.ResSingleMinimizationData,  : rosetta.core.scoring.ResSingleMinimizationData, min_data : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, r1_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
 
Evaluate the atom derivative f1/f2 vectors for all atoms on rsd1
 in response to the atoms on rsd2, and all the atoms on rsd2 as they
 in response to the atoms on rsd1.  This method is used with the
 MinimizationGraph and when nblist_autoupdate is not in use.
evaluate_rotamer_background_energies(...) from builtins.PyCapsule
evaluate_rotamer_background_energies(self : rosetta.core.scoring.elec.FA_ElecEnergy, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_vector : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_pair_energies(...) from builtins.PyCapsule
evaluate_rotamer_pair_energies(self : rosetta.core.scoring.elec.FA_ElecEnergy, set1 : rosetta.core.conformation.RotamerSetBase, set2 : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_table : ObjexxFCL::FArray2D<float>) -> NoneType
finalize_total_energy(...) from builtins.PyCapsule
finalize_total_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, totals : rosetta.core.scoring.EMapVector) -> NoneType
get_count_pair_function(...) from builtins.PyCapsule
get_count_pair_function(*args, **kwargs)
Overloaded function.
 
1. get_count_pair_function(self : rosetta.core.scoring.elec.FA_ElecEnergy,  : int,  : int,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
 
Interface function for class NeighborList.
 
2. get_count_pair_function(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
get_countpair_representative_atom(...) from builtins.PyCapsule
get_countpair_representative_atom(self : rosetta.core.scoring.elec.FA_ElecEnergy, restype : rosetta.core.chemical.ResidueType, atm_i : int) -> int
get_cp_tables(...) from builtins.PyCapsule
get_cp_tables(rosetta.core.scoring.elec.FA_ElecEnergy) -> NoneType
get_intrares_countpair(...) from builtins.PyCapsule
get_intrares_countpair(self : rosetta.core.scoring.elec.FA_ElecEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
 
Interface function for class NeighborList.
heavyatom_heavyatom_energy(...) from builtins.PyCapsule
heavyatom_heavyatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom, d2 : float,  : int) -> float
heavyatom_hydrogenatom_energy(...) from builtins.PyCapsule
heavyatom_hydrogenatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
hydrogen_interaction_cutoff(...) from builtins.PyCapsule
hydrogen_interaction_cutoff(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
 
How close two heavy atoms have to be such that their hydrogen atoms might interact
hydrogen_interaction_cutoff2(...) from builtins.PyCapsule
hydrogen_interaction_cutoff2(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
 
How close two heavy atoms have to be such that their hydrogen atoms might interact, squared.
hydrogenatom_heavyatom_energy(...) from builtins.PyCapsule
hydrogenatom_heavyatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
hydrogenatom_hydrogenatom_energy(...) from builtins.PyCapsule
hydrogenatom_hydrogenatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
indicate_required_context_graphs(...) from builtins.PyCapsule
indicate_required_context_graphs(self : rosetta.core.scoring.elec.FA_ElecEnergy, context_graphs_required : rosetta.utility.vector1_bool) -> NoneType
initialize(...) from builtins.PyCapsule
initialize(rosetta.core.scoring.elec.FA_ElecEnergy) -> NoneType
 
Initilize constants.
minimize_in_whole_structure_context(...) from builtins.PyCapsule
minimize_in_whole_structure_context(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Returns true if we're using neighborlist-autoupdate
prepare_rotamers_for_packing(...) from builtins.PyCapsule
prepare_rotamers_for_packing(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose, set : rosetta.core.conformation.RotamerSetBase) -> NoneType
residue_pair_energy(...) from builtins.PyCapsule
residue_pair_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
//////////////////////////////////////////////////////////////////////////
residue_pair_energy_ext(...) from builtins.PyCapsule
residue_pair_energy_ext(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
setup_for_minimizing(...) from builtins.PyCapsule
setup_for_minimizing(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_map : rosetta.core.kinematics.MinimizerMapBase) -> NoneType
 
stashes nblist if use_nblist is true
setup_for_minimizing_for_residue_pair(...) from builtins.PyCapsule
setup_for_minimizing_for_residue_pair(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res1_data_cache : rosetta.core.scoring.ResSingleMinimizationData, res2_data_cache : rosetta.core.scoring.ResSingleMinimizationData, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.utility.vector1_bool,  : rosetta.utility.vector1_bool) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
sidechain_sidechain_energy(...) from builtins.PyCapsule
sidechain_sidechain_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose, resid : int) -> NoneType
use_extended_residue_pair_energy_interface(...) from builtins.PyCapsule
use_extended_residue_pair_energy_interface(rosetta.core.scoring.elec.FA_ElecEnergy) -> bool

Methods inherited from rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy:
method_type(...) from builtins.PyCapsule
method_type(rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy) -> rosetta.core.scoring.methods.EnergyMethodType

Methods inherited from rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy:
evaluate_rotamer_background_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_background_energy_maps(self : rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
 
Batch computation of rotamer/background energies.  Need not be overriden
 in derived class -- by default, iterates over all rotamers in the set, and calls
 derived class's residue_pair_energy method for each one against the background rotamer
 Since short range rotamer pairs may not need calculation, the default method
 looks at blocks of residue type pairs and only calls the residue_pair_energy method
 if the rotamer pairs are within range

Methods inherited from rosetta.core.scoring.methods.TwoBodyEnergy:
bump_energy_backbone(...) from builtins.PyCapsule
bump_energy_backbone(self : rosetta.core.scoring.methods.TwoBodyEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
bump_energy_full(...) from builtins.PyCapsule
bump_energy_full(self : rosetta.core.scoring.methods.TwoBodyEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
defines_intrares_dof_derivatives(...) from builtins.PyCapsule
defines_intrares_dof_derivatives(self : rosetta.core.scoring.methods.TwoBodyEnergy, p : rosetta.core.pose.Pose) -> bool
 
Use the dof_derivative interface for this energy method when
 calculating derivatives?  It is possible to define both dof_derivatives and
 atom-derivatives; they are not mutually exclusive.
defines_intrares_energy_for_residue(...) from builtins.PyCapsule
defines_intrares_energy_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, res : rosetta.core.conformation.Residue) -> bool
 
If a score function defines no intra-residue scores for a particular
 residue, then it may opt-out of being asked during minimization to evaluate
 the score for this residue.
eval_intrares_derivatives(...) from builtins.PyCapsule
eval_intrares_derivatives(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
 
Evaluate the derivative for the intra-residue component of this energy method
 for all the atoms in a residue in the context of a particular pose,
 and increment the F1 and F2 vectors held in the atom_derivs vector1.
 This base class provides a default noop implementation
 of this function. The calling function must guarantee that this EnergyMethod has had the
 opportunity to update the input ResSingleMinimizationData object for the given residue
 in a call to prepare_for_minimization before this function is invoked.
 The calling function must also guarantee that there are at least as many entries
 in the atom_derivs vector1 as there are atoms in the input rsd.
eval_intrares_energy_ext(...) from builtins.PyCapsule
eval_intrares_energy_ext(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, data_cache : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Evaluate the intra-residue energy for a given residue using the data held within the
 ResSingleMinimizationData object.  This function should be invoked only on derived instances
 of this class if they return "true" in a call to their use_extended_intrares_energy_interface
 method.  This base class provides a noop implementation for classes that do not implement this
 interface, or that do not define intrares energies.
eval_intraresidue_dof_derivative(...) from builtins.PyCapsule
eval_intraresidue_dof_derivative(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, dof_id : rosetta.core.id.DOF_ID, torsion_id : rosetta.core.id.TorsionID, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector) -> float
 
Evaluate the DOF derivative for a particular residue.  The Pose merely serves as context,
 and the input residue is not required to be a member of the Pose.
evaluate_rotamer_intrares_energies(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energies(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, energies : rosetta.utility.vector1_float) -> NoneType
 
Batch computation of rotamer intrares energies.  Need not be overriden in
 derived class -- by default, iterates over all rotamers,
 and calls derived class's intrares _energy method.
evaluate_rotamer_intrares_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energy_maps(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
 
Batch computation of rotamer intrares energy map.  Need not be overriden in
 derived class -- by default, iterates over all rotamers,
 and calls derived class's intrares _energy method.
requires_a_setup_for_derivatives_for_residue_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_derivatives_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue before derivative evaluation begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
requires_a_setup_for_derivatives_for_residue_pair_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_derivatives_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue pair before derivative evaluation begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
requires_a_setup_for_scoring_for_residue_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_scoring_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine the residue before scoring begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residues that are uninterested
 in doing so.
requires_a_setup_for_scoring_for_residue_pair_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_scoring_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue pair before scoring begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
setup_for_derivatives_for_residue(...) from builtins.PyCapsule
setup_for_derivatives_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Do any setup work necessary before evaluating the derivatives for this residue
setup_for_derivatives_for_residue_pair(...) from builtins.PyCapsule
setup_for_derivatives_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
Do any setup work necessary before evaluating the derivatives for this residue pair
setup_for_minimizing_for_residue(...) from builtins.PyCapsule
setup_for_minimizing_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res_data_cache : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Called at the beginning of minimization, allowing this energy method to cache data
 pertinent for a single residue in the the ResPairMinimizationData that is used for a
 particular residue in the context of a particular Pose.  This base class provides a noop
 implementation for this function if there is nothing that the derived class needs to perform
 in this setup phase.
setup_for_scoring_for_residue(...) from builtins.PyCapsule
setup_for_scoring_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Do any setup work should the coordinates of this residue (who is still guaranteed to be
 of the same residue type as when setup_for_minimizing_for_residue was called) have changed so dramatically
 as to possibly require some amount of setup work before scoring should proceed.
 This function is used for both intra-residue setup and pre-inter-residue setup
setup_for_scoring_for_residue_pair(...) from builtins.PyCapsule
setup_for_scoring_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
Do any setup work should the coordinates of a pair of residues, who are still guaranteed to be
 of the same residue type as when setup_for_minimizing_for_residue was called, have changed so dramatically
 as to possibly require some amount of setup work before scoring should proceed
use_extended_intrares_energy_interface(...) from builtins.PyCapsule
use_extended_intrares_energy_interface(rosetta.core.scoring.methods.TwoBodyEnergy) -> bool
 
Derived classes wishing to invoke the alternate, extended interface for eval_intrares_energy
 during minimization routines should return "true" when this function is invoked on them.  This
 class provides a default "return false" implementation so that classes not desiring to take advantage
 of this alternate interface need to do nothing.

Methods inherited from rosetta.core.scoring.methods.EnergyMethod:
defines_high_order_terms(...) from builtins.PyCapsule
defines_high_order_terms(self : rosetta.core.scoring.methods.EnergyMethod,  : rosetta.core.pose.Pose) -> bool
 
Should this EnergyMethod have score and derivative evaluation
 evaluated both in the context of the whole Pose and in the context
 of residue or residue-pairs?  This covers scoring terms like env-smooth
 wherein the CBeta's get derivatives for increasing the neighbor counts
 for surrounding residues, and terms like constraints, which are definable
 on arbitrary number of residues (e.g. more than 2); both of these terms
 could be used in RTMin, and both should use the residue and residue-pair
 evaluation scheme with the MinimizationGraph for the majority of the
 work they do.  (Now, high-order constraints (3-body or above) will not
 be properly evaluated within RTMin.).  The default implementation
 returns "false".
finalize_after_derivatives(...) from builtins.PyCapsule
finalize_after_derivatives(self : rosetta.core.scoring.methods.EnergyMethod,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
 
called at the end of derivatives evaluation
score_types(...) from builtins.PyCapsule
score_types(rosetta.core.scoring.methods.EnergyMethod) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Returns the score types that this energy method computes.
version(...) from builtins.PyCapsule
version(rosetta.core.scoring.methods.EnergyMethod) -> int
 
Return the version of the energy method

 
class FA_ElecEnergyAroAll(FA_ElecEnergy)
    
Method resolution order:
FA_ElecEnergyAroAll
FA_ElecEnergy
rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy
rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy
rosetta.core.scoring.methods.TwoBodyEnergy
rosetta.core.scoring.methods.EnergyMethod
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, options : rosetta.core.scoring.methods.EnergyMethodOptions) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.elec.FA_ElecEnergyAroAll) -> 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.elec.FA_ElecEnergyAroAll,  : rosetta.core.scoring.elec.FA_ElecEnergyAroAll) -> rosetta.core.scoring.elec.FA_ElecEnergyAroAll
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.elec.FA_ElecEnergyAroAll) -> rosetta.core.scoring.methods.EnergyMethod
 
clone
defines_intrares_energy(...) from builtins.PyCapsule
defines_intrares_energy(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll,  : rosetta.core.scoring.EMapVector) -> bool
eval_atom_derivative(...) from builtins.PyCapsule
eval_atom_derivative(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, atom_id : rosetta.core.id.AtomID, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>,  : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
eval_atom_derivative_aro_aro(...) from builtins.PyCapsule
eval_atom_derivative_aro_aro(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, rsd1 : rosetta.core.conformation.Residue, i : int, rsd2 : rosetta.core.conformation.Residue, weights : rosetta.core.scoring.EMapVector, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
eval_intrares_energy(...) from builtins.PyCapsule
eval_intrares_energy(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
evaluate_rotamer_background_energies(...) from builtins.PyCapsule
evaluate_rotamer_background_energies(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_vector : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_pair_energies(...) from builtins.PyCapsule
evaluate_rotamer_pair_energies(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, set1 : rosetta.core.conformation.RotamerSetBase, set2 : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_table : ObjexxFCL::FArray2D<float>) -> NoneType
indicate_required_context_graphs(...) from builtins.PyCapsule
indicate_required_context_graphs(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, context_graphs_required : rosetta.utility.vector1_bool) -> NoneType
minimize_in_whole_structure_context(...) from builtins.PyCapsule
minimize_in_whole_structure_context(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll,  : rosetta.core.pose.Pose) -> bool
 
Returns "true" because this energy method has not been updated to
 use the new derivative evaluation machinery.  Note that this class requires
 the definition of this method because it's parent class, FA_ElecEnergy,
 HAS been updated to use the new derivative evaluation machinery, and,
 if this class did not return "true", it would be asked to evaluate derivatives
 in ways it cannot yet evaluate them in.
prepare_rotamers_for_packing(...) from builtins.PyCapsule
prepare_rotamers_for_packing(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, pose : rosetta.core.pose.Pose, set : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
overrides parent class implementation which would have
 created several tries
residue_pair_energy(...) from builtins.PyCapsule
residue_pair_energy(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
//////////////////////////////////////////////////////////////////////////
residue_pair_energy_aro_aro(...) from builtins.PyCapsule
residue_pair_energy_aro_aro(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, emap : rosetta.core.scoring.EMapVector) -> float
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, pose : rosetta.core.pose.Pose,  : rosetta.utility.vector1_bool,  : rosetta.utility.vector1_bool) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAll, pose : rosetta.core.pose.Pose, resid : int) -> NoneType
 
overrides parent class implementation which would have
 updated a trie
version(...) from builtins.PyCapsule
version(rosetta.core.scoring.elec.FA_ElecEnergyAroAll) -> int

Methods inherited from FA_ElecEnergy:
atomic_interaction_cutoff(...) from builtins.PyCapsule
atomic_interaction_cutoff(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
backbone_backbone_energy(...) from builtins.PyCapsule
backbone_backbone_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
backbone_sidechain_energy(...) from builtins.PyCapsule
backbone_sidechain_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
defines_score_for_residue_pair(...) from builtins.PyCapsule
defines_score_for_residue_pair(self : rosetta.core.scoring.elec.FA_ElecEnergy, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, res_moving_wrt_eachother : bool) -> bool
divides_backbone_and_sidechain_energetics(...) from builtins.PyCapsule
divides_backbone_and_sidechain_energetics(rosetta.core.scoring.elec.FA_ElecEnergy) -> bool
elec_weight(...) from builtins.PyCapsule
elec_weight(*args, **kwargs)
Overloaded function.
 
1. elec_weight(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1isbb : bool, at2isbb : bool) -> float
 
This has to go
 
2. elec_weight(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1isbb : bool, at2isbb : bool, wts : rosetta.core.scoring.elec.weight_triple) -> float
eval_residue_pair_derivatives(...) from builtins.PyCapsule
eval_residue_pair_derivatives(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue,  : rosetta.core.scoring.ResSingleMinimizationData,  : rosetta.core.scoring.ResSingleMinimizationData, min_data : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, r1_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
 
Evaluate the atom derivative f1/f2 vectors for all atoms on rsd1
 in response to the atoms on rsd2, and all the atoms on rsd2 as they
 in response to the atoms on rsd1.  This method is used with the
 MinimizationGraph and when nblist_autoupdate is not in use.
finalize_total_energy(...) from builtins.PyCapsule
finalize_total_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, totals : rosetta.core.scoring.EMapVector) -> NoneType
get_count_pair_function(...) from builtins.PyCapsule
get_count_pair_function(*args, **kwargs)
Overloaded function.
 
1. get_count_pair_function(self : rosetta.core.scoring.elec.FA_ElecEnergy,  : int,  : int,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
 
Interface function for class NeighborList.
 
2. get_count_pair_function(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
get_countpair_representative_atom(...) from builtins.PyCapsule
get_countpair_representative_atom(self : rosetta.core.scoring.elec.FA_ElecEnergy, restype : rosetta.core.chemical.ResidueType, atm_i : int) -> int
get_cp_tables(...) from builtins.PyCapsule
get_cp_tables(rosetta.core.scoring.elec.FA_ElecEnergy) -> NoneType
get_intrares_countpair(...) from builtins.PyCapsule
get_intrares_countpair(self : rosetta.core.scoring.elec.FA_ElecEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
 
Interface function for class NeighborList.
heavyatom_heavyatom_energy(...) from builtins.PyCapsule
heavyatom_heavyatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom, d2 : float,  : int) -> float
heavyatom_hydrogenatom_energy(...) from builtins.PyCapsule
heavyatom_hydrogenatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
hydrogen_interaction_cutoff(...) from builtins.PyCapsule
hydrogen_interaction_cutoff(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
 
How close two heavy atoms have to be such that their hydrogen atoms might interact
hydrogen_interaction_cutoff2(...) from builtins.PyCapsule
hydrogen_interaction_cutoff2(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
 
How close two heavy atoms have to be such that their hydrogen atoms might interact, squared.
hydrogenatom_heavyatom_energy(...) from builtins.PyCapsule
hydrogenatom_heavyatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
hydrogenatom_hydrogenatom_energy(...) from builtins.PyCapsule
hydrogenatom_hydrogenatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
initialize(...) from builtins.PyCapsule
initialize(rosetta.core.scoring.elec.FA_ElecEnergy) -> NoneType
 
Initilize constants.
residue_pair_energy_ext(...) from builtins.PyCapsule
residue_pair_energy_ext(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
setup_for_minimizing(...) from builtins.PyCapsule
setup_for_minimizing(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_map : rosetta.core.kinematics.MinimizerMapBase) -> NoneType
 
stashes nblist if use_nblist is true
setup_for_minimizing_for_residue_pair(...) from builtins.PyCapsule
setup_for_minimizing_for_residue_pair(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res1_data_cache : rosetta.core.scoring.ResSingleMinimizationData, res2_data_cache : rosetta.core.scoring.ResSingleMinimizationData, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
sidechain_sidechain_energy(...) from builtins.PyCapsule
sidechain_sidechain_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
use_extended_residue_pair_energy_interface(...) from builtins.PyCapsule
use_extended_residue_pair_energy_interface(rosetta.core.scoring.elec.FA_ElecEnergy) -> bool

Methods inherited from rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy:
method_type(...) from builtins.PyCapsule
method_type(rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy) -> rosetta.core.scoring.methods.EnergyMethodType

Methods inherited from rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy:
evaluate_rotamer_background_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_background_energy_maps(self : rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
 
Batch computation of rotamer/background energies.  Need not be overriden
 in derived class -- by default, iterates over all rotamers in the set, and calls
 derived class's residue_pair_energy method for each one against the background rotamer
 Since short range rotamer pairs may not need calculation, the default method
 looks at blocks of residue type pairs and only calls the residue_pair_energy method
 if the rotamer pairs are within range

Methods inherited from rosetta.core.scoring.methods.TwoBodyEnergy:
bump_energy_backbone(...) from builtins.PyCapsule
bump_energy_backbone(self : rosetta.core.scoring.methods.TwoBodyEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
bump_energy_full(...) from builtins.PyCapsule
bump_energy_full(self : rosetta.core.scoring.methods.TwoBodyEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
defines_intrares_dof_derivatives(...) from builtins.PyCapsule
defines_intrares_dof_derivatives(self : rosetta.core.scoring.methods.TwoBodyEnergy, p : rosetta.core.pose.Pose) -> bool
 
Use the dof_derivative interface for this energy method when
 calculating derivatives?  It is possible to define both dof_derivatives and
 atom-derivatives; they are not mutually exclusive.
defines_intrares_energy_for_residue(...) from builtins.PyCapsule
defines_intrares_energy_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, res : rosetta.core.conformation.Residue) -> bool
 
If a score function defines no intra-residue scores for a particular
 residue, then it may opt-out of being asked during minimization to evaluate
 the score for this residue.
eval_intrares_derivatives(...) from builtins.PyCapsule
eval_intrares_derivatives(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
 
Evaluate the derivative for the intra-residue component of this energy method
 for all the atoms in a residue in the context of a particular pose,
 and increment the F1 and F2 vectors held in the atom_derivs vector1.
 This base class provides a default noop implementation
 of this function. The calling function must guarantee that this EnergyMethod has had the
 opportunity to update the input ResSingleMinimizationData object for the given residue
 in a call to prepare_for_minimization before this function is invoked.
 The calling function must also guarantee that there are at least as many entries
 in the atom_derivs vector1 as there are atoms in the input rsd.
eval_intrares_energy_ext(...) from builtins.PyCapsule
eval_intrares_energy_ext(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, data_cache : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Evaluate the intra-residue energy for a given residue using the data held within the
 ResSingleMinimizationData object.  This function should be invoked only on derived instances
 of this class if they return "true" in a call to their use_extended_intrares_energy_interface
 method.  This base class provides a noop implementation for classes that do not implement this
 interface, or that do not define intrares energies.
eval_intraresidue_dof_derivative(...) from builtins.PyCapsule
eval_intraresidue_dof_derivative(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, dof_id : rosetta.core.id.DOF_ID, torsion_id : rosetta.core.id.TorsionID, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector) -> float
 
Evaluate the DOF derivative for a particular residue.  The Pose merely serves as context,
 and the input residue is not required to be a member of the Pose.
evaluate_rotamer_intrares_energies(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energies(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, energies : rosetta.utility.vector1_float) -> NoneType
 
Batch computation of rotamer intrares energies.  Need not be overriden in
 derived class -- by default, iterates over all rotamers,
 and calls derived class's intrares _energy method.
evaluate_rotamer_intrares_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energy_maps(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
 
Batch computation of rotamer intrares energy map.  Need not be overriden in
 derived class -- by default, iterates over all rotamers,
 and calls derived class's intrares _energy method.
requires_a_setup_for_derivatives_for_residue_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_derivatives_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue before derivative evaluation begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
requires_a_setup_for_derivatives_for_residue_pair_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_derivatives_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue pair before derivative evaluation begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
requires_a_setup_for_scoring_for_residue_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_scoring_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine the residue before scoring begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residues that are uninterested
 in doing so.
requires_a_setup_for_scoring_for_residue_pair_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_scoring_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue pair before scoring begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
setup_for_derivatives_for_residue(...) from builtins.PyCapsule
setup_for_derivatives_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Do any setup work necessary before evaluating the derivatives for this residue
setup_for_derivatives_for_residue_pair(...) from builtins.PyCapsule
setup_for_derivatives_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
Do any setup work necessary before evaluating the derivatives for this residue pair
setup_for_minimizing_for_residue(...) from builtins.PyCapsule
setup_for_minimizing_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res_data_cache : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Called at the beginning of minimization, allowing this energy method to cache data
 pertinent for a single residue in the the ResPairMinimizationData that is used for a
 particular residue in the context of a particular Pose.  This base class provides a noop
 implementation for this function if there is nothing that the derived class needs to perform
 in this setup phase.
setup_for_scoring_for_residue(...) from builtins.PyCapsule
setup_for_scoring_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Do any setup work should the coordinates of this residue (who is still guaranteed to be
 of the same residue type as when setup_for_minimizing_for_residue was called) have changed so dramatically
 as to possibly require some amount of setup work before scoring should proceed.
 This function is used for both intra-residue setup and pre-inter-residue setup
setup_for_scoring_for_residue_pair(...) from builtins.PyCapsule
setup_for_scoring_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
Do any setup work should the coordinates of a pair of residues, who are still guaranteed to be
 of the same residue type as when setup_for_minimizing_for_residue was called, have changed so dramatically
 as to possibly require some amount of setup work before scoring should proceed
use_extended_intrares_energy_interface(...) from builtins.PyCapsule
use_extended_intrares_energy_interface(rosetta.core.scoring.methods.TwoBodyEnergy) -> bool
 
Derived classes wishing to invoke the alternate, extended interface for eval_intrares_energy
 during minimization routines should return "true" when this function is invoked on them.  This
 class provides a default "return false" implementation so that classes not desiring to take advantage
 of this alternate interface need to do nothing.

Methods inherited from rosetta.core.scoring.methods.EnergyMethod:
defines_high_order_terms(...) from builtins.PyCapsule
defines_high_order_terms(self : rosetta.core.scoring.methods.EnergyMethod,  : rosetta.core.pose.Pose) -> bool
 
Should this EnergyMethod have score and derivative evaluation
 evaluated both in the context of the whole Pose and in the context
 of residue or residue-pairs?  This covers scoring terms like env-smooth
 wherein the CBeta's get derivatives for increasing the neighbor counts
 for surrounding residues, and terms like constraints, which are definable
 on arbitrary number of residues (e.g. more than 2); both of these terms
 could be used in RTMin, and both should use the residue and residue-pair
 evaluation scheme with the MinimizationGraph for the majority of the
 work they do.  (Now, high-order constraints (3-body or above) will not
 be properly evaluated within RTMin.).  The default implementation
 returns "false".
finalize_after_derivatives(...) from builtins.PyCapsule
finalize_after_derivatives(self : rosetta.core.scoring.methods.EnergyMethod,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
 
called at the end of derivatives evaluation
score_types(...) from builtins.PyCapsule
score_types(rosetta.core.scoring.methods.EnergyMethod) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Returns the score types that this energy method computes.

 
class FA_ElecEnergyAroAllCreator(rosetta.core.scoring.methods.EnergyMethodCreator)
    
Method resolution order:
FA_ElecEnergyAroAllCreator
rosetta.core.scoring.methods.EnergyMethodCreator
builtins.object

Methods defined here:
__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.elec.FA_ElecEnergyAroAllCreator,  : rosetta.core.scoring.elec.FA_ElecEnergyAroAllCreator) -> rosetta.core.scoring.elec.FA_ElecEnergyAroAllCreator
create_energy_method(...) from builtins.PyCapsule
create_energy_method(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAllCreator,  : rosetta.core.scoring.methods.EnergyMethodOptions) -> rosetta.core.scoring.methods.EnergyMethod
 
Instantiate a new FA_ElecEnergyAroAll
score_types_for_method(...) from builtins.PyCapsule
score_types_for_method(rosetta.core.scoring.elec.FA_ElecEnergyAroAllCreator) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Return the set of score types claimed by the EnergyMethod
 this EnergyMethodCreator creates in its create_energy_method() function

 
class FA_ElecEnergyAroAro(FA_ElecEnergy)
    
Method resolution order:
FA_ElecEnergyAroAro
FA_ElecEnergy
rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy
rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy
rosetta.core.scoring.methods.TwoBodyEnergy
rosetta.core.scoring.methods.EnergyMethod
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, options : rosetta.core.scoring.methods.EnergyMethodOptions) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.elec.FA_ElecEnergyAroAro) -> 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.elec.FA_ElecEnergyAroAro,  : rosetta.core.scoring.elec.FA_ElecEnergyAroAro) -> rosetta.core.scoring.elec.FA_ElecEnergyAroAro
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.elec.FA_ElecEnergyAroAro) -> rosetta.core.scoring.methods.EnergyMethod
 
clone
defines_intrares_energy(...) from builtins.PyCapsule
defines_intrares_energy(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro,  : rosetta.core.scoring.EMapVector) -> bool
eval_atom_derivative(...) from builtins.PyCapsule
eval_atom_derivative(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, atom_id : rosetta.core.id.AtomID, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>,  : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
eval_atom_derivative_aro_aro(...) from builtins.PyCapsule
eval_atom_derivative_aro_aro(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, rsd1 : rosetta.core.conformation.Residue, i : int, rsd2 : rosetta.core.conformation.Residue, weights : rosetta.core.scoring.EMapVector, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
eval_intrares_energy(...) from builtins.PyCapsule
eval_intrares_energy(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
evaluate_rotamer_background_energies(...) from builtins.PyCapsule
evaluate_rotamer_background_energies(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_vector : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_pair_energies(...) from builtins.PyCapsule
evaluate_rotamer_pair_energies(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, set1 : rosetta.core.conformation.RotamerSetBase, set2 : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_table : ObjexxFCL::FArray2D<float>) -> NoneType
indicate_required_context_graphs(...) from builtins.PyCapsule
indicate_required_context_graphs(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, context_graphs_required : rosetta.utility.vector1_bool) -> NoneType
minimize_in_whole_structure_context(...) from builtins.PyCapsule
minimize_in_whole_structure_context(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro,  : rosetta.core.pose.Pose) -> bool
 
Returns "true" because this energy method has not been updated to
 use the new derivative evaluation machinery.  Note that this class requires
 the definition of this method because it's parent class, FA_ElecEnergy,
 HAS been updated to use the new derivative evaluation machinery, and,
 if this class did not return "true", it would be asked to evaluate derivatives
 in ways it cannot yet evaluate them in.
prepare_rotamers_for_packing(...) from builtins.PyCapsule
prepare_rotamers_for_packing(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, pose : rosetta.core.pose.Pose, set : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
overrides parent class implementation which would have
 created several tries
residue_pair_energy(...) from builtins.PyCapsule
residue_pair_energy(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
//////////////////////////////////////////////////////////////////////////
residue_pair_energy_aro_aro(...) from builtins.PyCapsule
residue_pair_energy_aro_aro(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, emap : rosetta.core.scoring.EMapVector) -> float
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, pose : rosetta.core.pose.Pose,  : rosetta.utility.vector1_bool,  : rosetta.utility.vector1_bool) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAro, pose : rosetta.core.pose.Pose, resid : int) -> NoneType
 
overrides parent class implementation which would have
 updated a trie
version(...) from builtins.PyCapsule
version(rosetta.core.scoring.elec.FA_ElecEnergyAroAro) -> int

Methods inherited from FA_ElecEnergy:
atomic_interaction_cutoff(...) from builtins.PyCapsule
atomic_interaction_cutoff(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
backbone_backbone_energy(...) from builtins.PyCapsule
backbone_backbone_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
backbone_sidechain_energy(...) from builtins.PyCapsule
backbone_sidechain_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
defines_score_for_residue_pair(...) from builtins.PyCapsule
defines_score_for_residue_pair(self : rosetta.core.scoring.elec.FA_ElecEnergy, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, res_moving_wrt_eachother : bool) -> bool
divides_backbone_and_sidechain_energetics(...) from builtins.PyCapsule
divides_backbone_and_sidechain_energetics(rosetta.core.scoring.elec.FA_ElecEnergy) -> bool
elec_weight(...) from builtins.PyCapsule
elec_weight(*args, **kwargs)
Overloaded function.
 
1. elec_weight(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1isbb : bool, at2isbb : bool) -> float
 
This has to go
 
2. elec_weight(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1isbb : bool, at2isbb : bool, wts : rosetta.core.scoring.elec.weight_triple) -> float
eval_residue_pair_derivatives(...) from builtins.PyCapsule
eval_residue_pair_derivatives(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue,  : rosetta.core.scoring.ResSingleMinimizationData,  : rosetta.core.scoring.ResSingleMinimizationData, min_data : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, r1_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
 
Evaluate the atom derivative f1/f2 vectors for all atoms on rsd1
 in response to the atoms on rsd2, and all the atoms on rsd2 as they
 in response to the atoms on rsd1.  This method is used with the
 MinimizationGraph and when nblist_autoupdate is not in use.
finalize_total_energy(...) from builtins.PyCapsule
finalize_total_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, totals : rosetta.core.scoring.EMapVector) -> NoneType
get_count_pair_function(...) from builtins.PyCapsule
get_count_pair_function(*args, **kwargs)
Overloaded function.
 
1. get_count_pair_function(self : rosetta.core.scoring.elec.FA_ElecEnergy,  : int,  : int,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
 
Interface function for class NeighborList.
 
2. get_count_pair_function(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
get_countpair_representative_atom(...) from builtins.PyCapsule
get_countpair_representative_atom(self : rosetta.core.scoring.elec.FA_ElecEnergy, restype : rosetta.core.chemical.ResidueType, atm_i : int) -> int
get_cp_tables(...) from builtins.PyCapsule
get_cp_tables(rosetta.core.scoring.elec.FA_ElecEnergy) -> NoneType
get_intrares_countpair(...) from builtins.PyCapsule
get_intrares_countpair(self : rosetta.core.scoring.elec.FA_ElecEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
 
Interface function for class NeighborList.
heavyatom_heavyatom_energy(...) from builtins.PyCapsule
heavyatom_heavyatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom, d2 : float,  : int) -> float
heavyatom_hydrogenatom_energy(...) from builtins.PyCapsule
heavyatom_hydrogenatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
hydrogen_interaction_cutoff(...) from builtins.PyCapsule
hydrogen_interaction_cutoff(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
 
How close two heavy atoms have to be such that their hydrogen atoms might interact
hydrogen_interaction_cutoff2(...) from builtins.PyCapsule
hydrogen_interaction_cutoff2(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
 
How close two heavy atoms have to be such that their hydrogen atoms might interact, squared.
hydrogenatom_heavyatom_energy(...) from builtins.PyCapsule
hydrogenatom_heavyatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
hydrogenatom_hydrogenatom_energy(...) from builtins.PyCapsule
hydrogenatom_hydrogenatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
initialize(...) from builtins.PyCapsule
initialize(rosetta.core.scoring.elec.FA_ElecEnergy) -> NoneType
 
Initilize constants.
residue_pair_energy_ext(...) from builtins.PyCapsule
residue_pair_energy_ext(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
setup_for_minimizing(...) from builtins.PyCapsule
setup_for_minimizing(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_map : rosetta.core.kinematics.MinimizerMapBase) -> NoneType
 
stashes nblist if use_nblist is true
setup_for_minimizing_for_residue_pair(...) from builtins.PyCapsule
setup_for_minimizing_for_residue_pair(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res1_data_cache : rosetta.core.scoring.ResSingleMinimizationData, res2_data_cache : rosetta.core.scoring.ResSingleMinimizationData, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
sidechain_sidechain_energy(...) from builtins.PyCapsule
sidechain_sidechain_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
use_extended_residue_pair_energy_interface(...) from builtins.PyCapsule
use_extended_residue_pair_energy_interface(rosetta.core.scoring.elec.FA_ElecEnergy) -> bool

Methods inherited from rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy:
method_type(...) from builtins.PyCapsule
method_type(rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy) -> rosetta.core.scoring.methods.EnergyMethodType

Methods inherited from rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy:
evaluate_rotamer_background_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_background_energy_maps(self : rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
 
Batch computation of rotamer/background energies.  Need not be overriden
 in derived class -- by default, iterates over all rotamers in the set, and calls
 derived class's residue_pair_energy method for each one against the background rotamer
 Since short range rotamer pairs may not need calculation, the default method
 looks at blocks of residue type pairs and only calls the residue_pair_energy method
 if the rotamer pairs are within range

Methods inherited from rosetta.core.scoring.methods.TwoBodyEnergy:
bump_energy_backbone(...) from builtins.PyCapsule
bump_energy_backbone(self : rosetta.core.scoring.methods.TwoBodyEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
bump_energy_full(...) from builtins.PyCapsule
bump_energy_full(self : rosetta.core.scoring.methods.TwoBodyEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
defines_intrares_dof_derivatives(...) from builtins.PyCapsule
defines_intrares_dof_derivatives(self : rosetta.core.scoring.methods.TwoBodyEnergy, p : rosetta.core.pose.Pose) -> bool
 
Use the dof_derivative interface for this energy method when
 calculating derivatives?  It is possible to define both dof_derivatives and
 atom-derivatives; they are not mutually exclusive.
defines_intrares_energy_for_residue(...) from builtins.PyCapsule
defines_intrares_energy_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, res : rosetta.core.conformation.Residue) -> bool
 
If a score function defines no intra-residue scores for a particular
 residue, then it may opt-out of being asked during minimization to evaluate
 the score for this residue.
eval_intrares_derivatives(...) from builtins.PyCapsule
eval_intrares_derivatives(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
 
Evaluate the derivative for the intra-residue component of this energy method
 for all the atoms in a residue in the context of a particular pose,
 and increment the F1 and F2 vectors held in the atom_derivs vector1.
 This base class provides a default noop implementation
 of this function. The calling function must guarantee that this EnergyMethod has had the
 opportunity to update the input ResSingleMinimizationData object for the given residue
 in a call to prepare_for_minimization before this function is invoked.
 The calling function must also guarantee that there are at least as many entries
 in the atom_derivs vector1 as there are atoms in the input rsd.
eval_intrares_energy_ext(...) from builtins.PyCapsule
eval_intrares_energy_ext(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, data_cache : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Evaluate the intra-residue energy for a given residue using the data held within the
 ResSingleMinimizationData object.  This function should be invoked only on derived instances
 of this class if they return "true" in a call to their use_extended_intrares_energy_interface
 method.  This base class provides a noop implementation for classes that do not implement this
 interface, or that do not define intrares energies.
eval_intraresidue_dof_derivative(...) from builtins.PyCapsule
eval_intraresidue_dof_derivative(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, dof_id : rosetta.core.id.DOF_ID, torsion_id : rosetta.core.id.TorsionID, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector) -> float
 
Evaluate the DOF derivative for a particular residue.  The Pose merely serves as context,
 and the input residue is not required to be a member of the Pose.
evaluate_rotamer_intrares_energies(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energies(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, energies : rosetta.utility.vector1_float) -> NoneType
 
Batch computation of rotamer intrares energies.  Need not be overriden in
 derived class -- by default, iterates over all rotamers,
 and calls derived class's intrares _energy method.
evaluate_rotamer_intrares_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energy_maps(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
 
Batch computation of rotamer intrares energy map.  Need not be overriden in
 derived class -- by default, iterates over all rotamers,
 and calls derived class's intrares _energy method.
requires_a_setup_for_derivatives_for_residue_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_derivatives_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue before derivative evaluation begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
requires_a_setup_for_derivatives_for_residue_pair_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_derivatives_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue pair before derivative evaluation begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
requires_a_setup_for_scoring_for_residue_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_scoring_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine the residue before scoring begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residues that are uninterested
 in doing so.
requires_a_setup_for_scoring_for_residue_pair_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_scoring_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue pair before scoring begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
setup_for_derivatives_for_residue(...) from builtins.PyCapsule
setup_for_derivatives_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Do any setup work necessary before evaluating the derivatives for this residue
setup_for_derivatives_for_residue_pair(...) from builtins.PyCapsule
setup_for_derivatives_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
Do any setup work necessary before evaluating the derivatives for this residue pair
setup_for_minimizing_for_residue(...) from builtins.PyCapsule
setup_for_minimizing_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res_data_cache : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Called at the beginning of minimization, allowing this energy method to cache data
 pertinent for a single residue in the the ResPairMinimizationData that is used for a
 particular residue in the context of a particular Pose.  This base class provides a noop
 implementation for this function if there is nothing that the derived class needs to perform
 in this setup phase.
setup_for_scoring_for_residue(...) from builtins.PyCapsule
setup_for_scoring_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Do any setup work should the coordinates of this residue (who is still guaranteed to be
 of the same residue type as when setup_for_minimizing_for_residue was called) have changed so dramatically
 as to possibly require some amount of setup work before scoring should proceed.
 This function is used for both intra-residue setup and pre-inter-residue setup
setup_for_scoring_for_residue_pair(...) from builtins.PyCapsule
setup_for_scoring_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
Do any setup work should the coordinates of a pair of residues, who are still guaranteed to be
 of the same residue type as when setup_for_minimizing_for_residue was called, have changed so dramatically
 as to possibly require some amount of setup work before scoring should proceed
use_extended_intrares_energy_interface(...) from builtins.PyCapsule
use_extended_intrares_energy_interface(rosetta.core.scoring.methods.TwoBodyEnergy) -> bool
 
Derived classes wishing to invoke the alternate, extended interface for eval_intrares_energy
 during minimization routines should return "true" when this function is invoked on them.  This
 class provides a default "return false" implementation so that classes not desiring to take advantage
 of this alternate interface need to do nothing.

Methods inherited from rosetta.core.scoring.methods.EnergyMethod:
defines_high_order_terms(...) from builtins.PyCapsule
defines_high_order_terms(self : rosetta.core.scoring.methods.EnergyMethod,  : rosetta.core.pose.Pose) -> bool
 
Should this EnergyMethod have score and derivative evaluation
 evaluated both in the context of the whole Pose and in the context
 of residue or residue-pairs?  This covers scoring terms like env-smooth
 wherein the CBeta's get derivatives for increasing the neighbor counts
 for surrounding residues, and terms like constraints, which are definable
 on arbitrary number of residues (e.g. more than 2); both of these terms
 could be used in RTMin, and both should use the residue and residue-pair
 evaluation scheme with the MinimizationGraph for the majority of the
 work they do.  (Now, high-order constraints (3-body or above) will not
 be properly evaluated within RTMin.).  The default implementation
 returns "false".
finalize_after_derivatives(...) from builtins.PyCapsule
finalize_after_derivatives(self : rosetta.core.scoring.methods.EnergyMethod,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
 
called at the end of derivatives evaluation
score_types(...) from builtins.PyCapsule
score_types(rosetta.core.scoring.methods.EnergyMethod) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Returns the score types that this energy method computes.

 
class FA_ElecEnergyAroAroCreator(rosetta.core.scoring.methods.EnergyMethodCreator)
    
Method resolution order:
FA_ElecEnergyAroAroCreator
rosetta.core.scoring.methods.EnergyMethodCreator
builtins.object

Methods defined here:
__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.elec.FA_ElecEnergyAroAroCreator,  : rosetta.core.scoring.elec.FA_ElecEnergyAroAroCreator) -> rosetta.core.scoring.elec.FA_ElecEnergyAroAroCreator
create_energy_method(...) from builtins.PyCapsule
create_energy_method(self : rosetta.core.scoring.elec.FA_ElecEnergyAroAroCreator,  : rosetta.core.scoring.methods.EnergyMethodOptions) -> rosetta.core.scoring.methods.EnergyMethod
 
Instantiate a new FA_ElecEnergyAroAro
score_types_for_method(...) from builtins.PyCapsule
score_types_for_method(rosetta.core.scoring.elec.FA_ElecEnergyAroAroCreator) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Return the set of score types claimed by the EnergyMethod
 this EnergyMethodCreator creates in its create_energy_method() function

 
class FA_ElecEnergyCreator(rosetta.core.scoring.methods.EnergyMethodCreator)
    
Method resolution order:
FA_ElecEnergyCreator
rosetta.core.scoring.methods.EnergyMethodCreator
builtins.object

Methods defined here:
__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.elec.FA_ElecEnergyCreator,  : rosetta.core.scoring.elec.FA_ElecEnergyCreator) -> rosetta.core.scoring.elec.FA_ElecEnergyCreator
create_energy_method(...) from builtins.PyCapsule
create_energy_method(self : rosetta.core.scoring.elec.FA_ElecEnergyCreator,  : rosetta.core.scoring.methods.EnergyMethodOptions) -> rosetta.core.scoring.methods.EnergyMethod
 
Instantiate a new FA_ElecEnergy
score_types_for_method(...) from builtins.PyCapsule
score_types_for_method(rosetta.core.scoring.elec.FA_ElecEnergyCreator) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Return the set of score types claimed by the EnergyMethod
 this EnergyMethodCreator creates in its create_energy_method() function

 
class FA_GrpElecEnergy(rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy)
    
Method resolution order:
FA_GrpElecEnergy
rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy
rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy
rosetta.core.scoring.methods.TwoBodyEnergy
rosetta.core.scoring.methods.EnergyMethod
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, options : rosetta.core.scoring.methods.EnergyMethodOptions) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.elec.FA_GrpElecEnergy) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
atomic_interaction_cutoff(...) from builtins.PyCapsule
atomic_interaction_cutoff(rosetta.core.scoring.elec.FA_GrpElecEnergy) -> float
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.elec.FA_GrpElecEnergy) -> rosetta.core.scoring.methods.EnergyMethod
 
clone
defines_intrares_energy(...) from builtins.PyCapsule
defines_intrares_energy(self : rosetta.core.scoring.elec.FA_GrpElecEnergy,  : rosetta.core.scoring.EMapVector) -> bool
defines_score_for_residue_pair(...) from builtins.PyCapsule
defines_score_for_residue_pair(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, res_moving_wrt_eachother : bool) -> bool
eval_atom_derivative(...) from builtins.PyCapsule
eval_atom_derivative(self : rosetta.core.scoring.elec.FA_GrpElecEnergy,  : rosetta.core.id.AtomID,  : rosetta.core.pose.Pose,  : ObjexxFCL::FArray1D<int>,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector,  : rosetta.numeric.xyzVector_double_t,  : rosetta.numeric.xyzVector_double_t) -> NoneType
 
Evaluate the derivative vectors for a particular atom in a given
 (asymmetric) pose when nblist_autoupdate is being used.  nblist_autoupdate
 cannot be used with symmetric poses, in rtmin, or in minpack.
eval_intrares_derivatives(...) from builtins.PyCapsule
eval_intrares_derivatives(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, rsd : rosetta.core.conformation.Residue,  : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
eval_intrares_energy(...) from builtins.PyCapsule
eval_intrares_energy(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
eval_residue_pair_derivatives(...) from builtins.PyCapsule
eval_residue_pair_derivatives(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue,  : rosetta.core.scoring.ResSingleMinimizationData,  : rosetta.core.scoring.ResSingleMinimizationData,  : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, r1_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
 
Evaluate the atom derivative f1/f2 vectors for all atoms on rsd1
 in response to the atoms on rsd2, and all the atoms on rsd2 as they
 in response to the atoms on rsd1.  This method is used with the
 MinimizationGraph and when nblist_autoupdate is not in use.
evaluate_rotamer_background_energies(...) from builtins.PyCapsule
evaluate_rotamer_background_energies(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_vector : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_pair_energies(...) from builtins.PyCapsule
evaluate_rotamer_pair_energies(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, set1 : rosetta.core.conformation.RotamerSetBase, set2 : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_table : ObjexxFCL::FArray2D<float>) -> NoneType
finalize_total_energy(...) from builtins.PyCapsule
finalize_total_energy(self : rosetta.core.scoring.elec.FA_GrpElecEnergy,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
get_count_pair_function(...) from builtins.PyCapsule
get_count_pair_function(*args, **kwargs)
Overloaded function.
 
1. get_count_pair_function(self : rosetta.core.scoring.elec.FA_GrpElecEnergy,  : int,  : int,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
 
Interface function for class NeighborList.
 
2. get_count_pair_function(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
get_intrares_countpair(...) from builtins.PyCapsule
get_intrares_countpair(self : rosetta.core.scoring.elec.FA_GrpElecEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
 
Interface function for class NeighborList.
indicate_required_context_graphs(...) from builtins.PyCapsule
indicate_required_context_graphs(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, context_graphs_required : rosetta.utility.vector1_bool) -> NoneType
initialize(...) from builtins.PyCapsule
initialize(rosetta.core.scoring.elec.FA_GrpElecEnergy) -> NoneType
 
Initilize constants.
minimize_in_whole_structure_context(...) from builtins.PyCapsule
minimize_in_whole_structure_context(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Returns true if we're using neighborlist-autoupdate
prepare_rotamers_for_packing(...) from builtins.PyCapsule
prepare_rotamers_for_packing(self : rosetta.core.scoring.elec.FA_GrpElecEnergy,  : rosetta.core.pose.Pose,  : rosetta.core.conformation.RotamerSetBase) -> NoneType
residue_pair_energy(...) from builtins.PyCapsule
residue_pair_energy(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
//////////////////////////////////////////////////////////////////////////
residue_pair_energy_ext(...) from builtins.PyCapsule
residue_pair_energy_ext(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue,  : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
setup_for_minimizing(...) from builtins.PyCapsule
setup_for_minimizing(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_map : rosetta.core.kinematics.MinimizerMapBase) -> NoneType
 
stashes nblist if use_nblist is true
setup_for_minimizing_for_residue_pair(...) from builtins.PyCapsule
setup_for_minimizing_for_residue_pair(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.kinematics.MinimizerMapBase,  : rosetta.core.scoring.ResSingleMinimizationData,  : rosetta.core.scoring.ResSingleMinimizationData,  : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.utility.vector1_bool,  : rosetta.utility.vector1_bool) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.elec.FA_GrpElecEnergy, pose : rosetta.core.pose.Pose, scfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.elec.FA_GrpElecEnergy,  : rosetta.core.pose.Pose,  : int) -> NoneType
use_extended_residue_pair_energy_interface(...) from builtins.PyCapsule
use_extended_residue_pair_energy_interface(rosetta.core.scoring.elec.FA_GrpElecEnergy) -> bool

Methods inherited from rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy:
assign(...) from builtins.PyCapsule
assign(self : rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy,  : rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy) -> rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy
method_type(...) from builtins.PyCapsule
method_type(rosetta.core.scoring.methods.ContextDependentTwoBodyEnergy) -> rosetta.core.scoring.methods.EnergyMethodType

Methods inherited from rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy:
divides_backbone_and_sidechain_energetics(...) from builtins.PyCapsule
divides_backbone_and_sidechain_energetics(rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy) -> bool
 
A derived class should return true for this function if it implements its own
 versions of the backbone_backbone_energy, backbone_sidechain_energy and
 sidechain_sidechain_energy functions.  The default sidechain_sidechain_energy implemented
 by the TwoBodyEnergy base class calls residue_pair_energy.  If the derived class implements its own
 versions of these functions, then calling code may avoid calling it on pairs of residues
 that are "provably distant" based on a pair of bounding spheres for a sidechains and
 backbones and this method's atomic_interaction_cutoff energy method.
evaluate_rotamer_background_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_background_energy_maps(self : rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
 
Batch computation of rotamer/background energies.  Need not be overriden
 in derived class -- by default, iterates over all rotamers in the set, and calls
 derived class's residue_pair_energy method for each one against the background rotamer
 Since short range rotamer pairs may not need calculation, the default method
 looks at blocks of residue type pairs and only calls the residue_pair_energy method
 if the rotamer pairs are within range

Methods inherited from rosetta.core.scoring.methods.TwoBodyEnergy:
backbone_backbone_energy(...) from builtins.PyCapsule
backbone_backbone_energy(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Evaluate the interaction between the backbone of rsd1 and the
 backbone of rsd2 and accumulate the unweighted energies.  The sum
 bb_bb(r1,r2) + bb_sc(r1,r2) + bb_sc(r2,r1) + sc_sc( r1,r2) must
 equal the weighted result of a call to residue_pair_energy.
 By default, bb_bb & bb_sc return 0 and sc_sc returns
 residue pair energy.
backbone_sidechain_energy(...) from builtins.PyCapsule
backbone_sidechain_energy(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Evaluate the interaction between the backbone of rsd1 and the
 sidechain of rsd2 and accumulate the unweighted energies.  The sum
 bb_bb(r1,r2) + bb_sc(r1,r2) + bb_sc(r2,r1) + sc_sc( r1,r2) must
 equal the unweighted result of a call to residue_pair_energy.
 By default, bb_bb & bb_sc return 0 and sc_sc returns
 residue pair energy.
bump_energy_backbone(...) from builtins.PyCapsule
bump_energy_backbone(self : rosetta.core.scoring.methods.TwoBodyEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
bump_energy_full(...) from builtins.PyCapsule
bump_energy_full(self : rosetta.core.scoring.methods.TwoBodyEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
defines_intrares_dof_derivatives(...) from builtins.PyCapsule
defines_intrares_dof_derivatives(self : rosetta.core.scoring.methods.TwoBodyEnergy, p : rosetta.core.pose.Pose) -> bool
 
Use the dof_derivative interface for this energy method when
 calculating derivatives?  It is possible to define both dof_derivatives and
 atom-derivatives; they are not mutually exclusive.
defines_intrares_energy_for_residue(...) from builtins.PyCapsule
defines_intrares_energy_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, res : rosetta.core.conformation.Residue) -> bool
 
If a score function defines no intra-residue scores for a particular
 residue, then it may opt-out of being asked during minimization to evaluate
 the score for this residue.
eval_intrares_energy_ext(...) from builtins.PyCapsule
eval_intrares_energy_ext(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, data_cache : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Evaluate the intra-residue energy for a given residue using the data held within the
 ResSingleMinimizationData object.  This function should be invoked only on derived instances
 of this class if they return "true" in a call to their use_extended_intrares_energy_interface
 method.  This base class provides a noop implementation for classes that do not implement this
 interface, or that do not define intrares energies.
eval_intraresidue_dof_derivative(...) from builtins.PyCapsule
eval_intraresidue_dof_derivative(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, dof_id : rosetta.core.id.DOF_ID, torsion_id : rosetta.core.id.TorsionID, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector) -> float
 
Evaluate the DOF derivative for a particular residue.  The Pose merely serves as context,
 and the input residue is not required to be a member of the Pose.
evaluate_rotamer_intrares_energies(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energies(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, energies : rosetta.utility.vector1_float) -> NoneType
 
Batch computation of rotamer intrares energies.  Need not be overriden in
 derived class -- by default, iterates over all rotamers,
 and calls derived class's intrares _energy method.
evaluate_rotamer_intrares_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energy_maps(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
 
Batch computation of rotamer intrares energy map.  Need not be overriden in
 derived class -- by default, iterates over all rotamers,
 and calls derived class's intrares _energy method.
requires_a_setup_for_derivatives_for_residue_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_derivatives_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue before derivative evaluation begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
requires_a_setup_for_derivatives_for_residue_pair_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_derivatives_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue pair before derivative evaluation begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
requires_a_setup_for_scoring_for_residue_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_scoring_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine the residue before scoring begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residues that are uninterested
 in doing so.
requires_a_setup_for_scoring_for_residue_pair_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_scoring_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue pair before scoring begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
setup_for_derivatives_for_residue(...) from builtins.PyCapsule
setup_for_derivatives_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Do any setup work necessary before evaluating the derivatives for this residue
setup_for_derivatives_for_residue_pair(...) from builtins.PyCapsule
setup_for_derivatives_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
Do any setup work necessary before evaluating the derivatives for this residue pair
setup_for_minimizing_for_residue(...) from builtins.PyCapsule
setup_for_minimizing_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res_data_cache : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Called at the beginning of minimization, allowing this energy method to cache data
 pertinent for a single residue in the the ResPairMinimizationData that is used for a
 particular residue in the context of a particular Pose.  This base class provides a noop
 implementation for this function if there is nothing that the derived class needs to perform
 in this setup phase.
setup_for_scoring_for_residue(...) from builtins.PyCapsule
setup_for_scoring_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Do any setup work should the coordinates of this residue (who is still guaranteed to be
 of the same residue type as when setup_for_minimizing_for_residue was called) have changed so dramatically
 as to possibly require some amount of setup work before scoring should proceed.
 This function is used for both intra-residue setup and pre-inter-residue setup
setup_for_scoring_for_residue_pair(...) from builtins.PyCapsule
setup_for_scoring_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
Do any setup work should the coordinates of a pair of residues, who are still guaranteed to be
 of the same residue type as when setup_for_minimizing_for_residue was called, have changed so dramatically
 as to possibly require some amount of setup work before scoring should proceed
sidechain_sidechain_energy(...) from builtins.PyCapsule
sidechain_sidechain_energy(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Evaluate the interaction between the sidechain of rsd1 and the
 sidechain of rsd2 and accumulate the unweighted energies.  The sum
 bb_bb(r1,r2) + bb_sc(r1,r2) + bb_sc(r2,r1) + sc_sc( r1,r2) must
 equal the unweighted result of a call to residue_pair_energy.
 By default, bb_bb & bb_sc return 0 and sc_sc returns
 residue pair energy.
use_extended_intrares_energy_interface(...) from builtins.PyCapsule
use_extended_intrares_energy_interface(rosetta.core.scoring.methods.TwoBodyEnergy) -> bool
 
Derived classes wishing to invoke the alternate, extended interface for eval_intrares_energy
 during minimization routines should return "true" when this function is invoked on them.  This
 class provides a default "return false" implementation so that classes not desiring to take advantage
 of this alternate interface need to do nothing.

Methods inherited from rosetta.core.scoring.methods.EnergyMethod:
defines_high_order_terms(...) from builtins.PyCapsule
defines_high_order_terms(self : rosetta.core.scoring.methods.EnergyMethod,  : rosetta.core.pose.Pose) -> bool
 
Should this EnergyMethod have score and derivative evaluation
 evaluated both in the context of the whole Pose and in the context
 of residue or residue-pairs?  This covers scoring terms like env-smooth
 wherein the CBeta's get derivatives for increasing the neighbor counts
 for surrounding residues, and terms like constraints, which are definable
 on arbitrary number of residues (e.g. more than 2); both of these terms
 could be used in RTMin, and both should use the residue and residue-pair
 evaluation scheme with the MinimizationGraph for the majority of the
 work they do.  (Now, high-order constraints (3-body or above) will not
 be properly evaluated within RTMin.).  The default implementation
 returns "false".
finalize_after_derivatives(...) from builtins.PyCapsule
finalize_after_derivatives(self : rosetta.core.scoring.methods.EnergyMethod,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
 
called at the end of derivatives evaluation
score_types(...) from builtins.PyCapsule
score_types(rosetta.core.scoring.methods.EnergyMethod) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Returns the score types that this energy method computes.
version(...) from builtins.PyCapsule
version(rosetta.core.scoring.methods.EnergyMethod) -> int
 
Return the version of the energy method

 
class FA_GrpElecEnergyCreator(rosetta.core.scoring.methods.EnergyMethodCreator)
    
Method resolution order:
FA_GrpElecEnergyCreator
rosetta.core.scoring.methods.EnergyMethodCreator
builtins.object

Methods defined here:
__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.elec.FA_GrpElecEnergyCreator,  : rosetta.core.scoring.elec.FA_GrpElecEnergyCreator) -> rosetta.core.scoring.elec.FA_GrpElecEnergyCreator
create_energy_method(...) from builtins.PyCapsule
create_energy_method(self : rosetta.core.scoring.elec.FA_GrpElecEnergyCreator,  : rosetta.core.scoring.methods.EnergyMethodOptions) -> rosetta.core.scoring.methods.EnergyMethod
 
Instantiate a new FA_ElecEnergy
score_types_for_method(...) from builtins.PyCapsule
score_types_for_method(rosetta.core.scoring.elec.FA_GrpElecEnergyCreator) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Return the set of score types claimed by the EnergyMethod
 this EnergyMethodCreator creates in its create_energy_method() function

 
class GroupElec(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.core.scoring.elec.GroupElec, src : rosetta.core.scoring.elec.GroupElec) -> NoneType
 
2. __init__(self : rosetta.core.scoring.elec.GroupElec, options : rosetta.core.scoring.methods.EnergyMethodOptions) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
eval_respair_group_coulomb(...) from builtins.PyCapsule
eval_respair_group_coulomb(self : rosetta.core.scoring.elec.GroupElec, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue) -> float
eval_respair_group_derivatives(...) from builtins.PyCapsule
eval_respair_group_derivatives(self : rosetta.core.scoring.elec.GroupElec, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, r1_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, elec_weight : float, Erespair : float) -> NoneType
initialize(...) from builtins.PyCapsule
initialize(self : rosetta.core.scoring.elec.GroupElec, coulomb : rosetta.core.scoring.etable.coulomb.Coulomb) -> NoneType

 
class RNA_FA_ElecEnergy(FA_ElecEnergy)
    
Method resolution order:
RNA_FA_ElecEnergy
FA_ElecEnergy
rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy
rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy
rosetta.core.scoring.methods.TwoBodyEnergy
rosetta.core.scoring.methods.EnergyMethod
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, options : rosetta.core.scoring.methods.EnergyMethodOptions) -> NoneType
 
2. __init__(handle, rosetta.core.scoring.elec.RNA_FA_ElecEnergy) -> 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.elec.RNA_FA_ElecEnergy,  : rosetta.core.scoring.elec.RNA_FA_ElecEnergy) -> rosetta.core.scoring.elec.RNA_FA_ElecEnergy
backbone_backbone_energy(...) from builtins.PyCapsule
backbone_backbone_energy(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
clone(...) from builtins.PyCapsule
clone(rosetta.core.scoring.elec.RNA_FA_ElecEnergy) -> rosetta.core.scoring.methods.EnergyMethod
 
clone
defines_intrares_energy(...) from builtins.PyCapsule
defines_intrares_energy(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy,  : rosetta.core.scoring.EMapVector) -> bool
eval_atom_derivative(...) from builtins.PyCapsule
eval_atom_derivative(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, atom_id : rosetta.core.id.AtomID, pose : rosetta.core.pose.Pose, domain_map : ObjexxFCL::FArray1D<int>,  : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
eval_atom_derivative_RNA(...) from builtins.PyCapsule
eval_atom_derivative_RNA(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, i : int, rsd2 : rosetta.core.conformation.Residue, weights : rosetta.core.scoring.EMapVector, F1 : rosetta.numeric.xyzVector_double_t, F2 : rosetta.numeric.xyzVector_double_t) -> NoneType
eval_intrares_energy(...) from builtins.PyCapsule
eval_intrares_energy(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
evaluate_rotamer_background_energies(...) from builtins.PyCapsule
evaluate_rotamer_background_energies(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_vector : rosetta.utility.vector1_float) -> NoneType
evaluate_rotamer_pair_energies(...) from builtins.PyCapsule
evaluate_rotamer_pair_energies(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, set1 : rosetta.core.conformation.RotamerSetBase, set2 : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, energy_table : ObjexxFCL::FArray2D<float>) -> NoneType
indicate_required_context_graphs(...) from builtins.PyCapsule
indicate_required_context_graphs(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, context_graphs_required : rosetta.utility.vector1_bool) -> NoneType
minimize_in_whole_structure_context(...) from builtins.PyCapsule
minimize_in_whole_structure_context(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy,  : rosetta.core.pose.Pose) -> bool
 
Returns "true" because this energy method has not been updated to
 use the new derivative evaluation machinery.  Note that this class requires
 the definition of this method because it's parent class, FA_ElecEnergy,
 HAS been updated to use the new derivative evaluation machinery, and,
 if this class did not return "true", it would be asked to evaluate derivatives
 in ways it cannot yet evaluate them in.
prepare_rotamers_for_packing(...) from builtins.PyCapsule
prepare_rotamers_for_packing(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, pose : rosetta.core.pose.Pose, set : rosetta.core.conformation.RotamerSetBase) -> NoneType
 
overrides parent class implementation which would have
 created several tries
residue_pair_energy(...) from builtins.PyCapsule
residue_pair_energy(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
//////////////////////////////////////////////////////////////////////////
rna_fa_elec_one_way(...) from builtins.PyCapsule
rna_fa_elec_one_way(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.RNAAtomType,  : rosetta.RNAAtomType) -> float
setup_for_derivatives(...) from builtins.PyCapsule
setup_for_derivatives(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
setup_for_packing(...) from builtins.PyCapsule
setup_for_packing(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.utility.vector1_bool,  : rosetta.utility.vector1_bool) -> NoneType
setup_for_scoring(...) from builtins.PyCapsule
setup_for_scoring(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
update_residue_for_packing(...) from builtins.PyCapsule
update_residue_for_packing(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergy, pose : rosetta.core.pose.Pose, resid : int) -> NoneType
 
overrides parent class implementation which would have
 updated a trie
use_extended_residue_pair_energy_interface(...) from builtins.PyCapsule
use_extended_residue_pair_energy_interface(rosetta.core.scoring.elec.RNA_FA_ElecEnergy) -> bool
 
Jan 10, 2012. Parin Sripakdeevon (sripakpa.edu)
 Returns "false" to overwrite the behavior in the parent class (FA_ElecEnergy)!
version(...) from builtins.PyCapsule
version(rosetta.core.scoring.elec.RNA_FA_ElecEnergy) -> int

Methods inherited from FA_ElecEnergy:
atomic_interaction_cutoff(...) from builtins.PyCapsule
atomic_interaction_cutoff(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
backbone_sidechain_energy(...) from builtins.PyCapsule
backbone_sidechain_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
defines_score_for_residue_pair(...) from builtins.PyCapsule
defines_score_for_residue_pair(self : rosetta.core.scoring.elec.FA_ElecEnergy, res1 : rosetta.core.conformation.Residue, res2 : rosetta.core.conformation.Residue, res_moving_wrt_eachother : bool) -> bool
divides_backbone_and_sidechain_energetics(...) from builtins.PyCapsule
divides_backbone_and_sidechain_energetics(rosetta.core.scoring.elec.FA_ElecEnergy) -> bool
elec_weight(...) from builtins.PyCapsule
elec_weight(*args, **kwargs)
Overloaded function.
 
1. elec_weight(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1isbb : bool, at2isbb : bool) -> float
 
This has to go
 
2. elec_weight(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1isbb : bool, at2isbb : bool, wts : rosetta.core.scoring.elec.weight_triple) -> float
eval_residue_pair_derivatives(...) from builtins.PyCapsule
eval_residue_pair_derivatives(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue,  : rosetta.core.scoring.ResSingleMinimizationData,  : rosetta.core.scoring.ResSingleMinimizationData, min_data : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, r1_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair, r2_atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
 
Evaluate the atom derivative f1/f2 vectors for all atoms on rsd1
 in response to the atoms on rsd2, and all the atoms on rsd2 as they
 in response to the atoms on rsd1.  This method is used with the
 MinimizationGraph and when nblist_autoupdate is not in use.
finalize_total_energy(...) from builtins.PyCapsule
finalize_total_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction, totals : rosetta.core.scoring.EMapVector) -> NoneType
get_count_pair_function(...) from builtins.PyCapsule
get_count_pair_function(*args, **kwargs)
Overloaded function.
 
1. get_count_pair_function(self : rosetta.core.scoring.elec.FA_ElecEnergy,  : int,  : int,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
 
Interface function for class NeighborList.
 
2. get_count_pair_function(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
get_countpair_representative_atom(...) from builtins.PyCapsule
get_countpair_representative_atom(self : rosetta.core.scoring.elec.FA_ElecEnergy, restype : rosetta.core.chemical.ResidueType, atm_i : int) -> int
get_cp_tables(...) from builtins.PyCapsule
get_cp_tables(rosetta.core.scoring.elec.FA_ElecEnergy) -> NoneType
get_intrares_countpair(...) from builtins.PyCapsule
get_intrares_countpair(self : rosetta.core.scoring.elec.FA_ElecEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> rosetta.core.scoring.etable.count_pair.CountPairFunction
 
Interface function for class NeighborList.
heavyatom_heavyatom_energy(...) from builtins.PyCapsule
heavyatom_heavyatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom, d2 : float,  : int) -> float
heavyatom_hydrogenatom_energy(...) from builtins.PyCapsule
heavyatom_hydrogenatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
hydrogen_interaction_cutoff(...) from builtins.PyCapsule
hydrogen_interaction_cutoff(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
 
How close two heavy atoms have to be such that their hydrogen atoms might interact
hydrogen_interaction_cutoff2(...) from builtins.PyCapsule
hydrogen_interaction_cutoff2(rosetta.core.scoring.elec.FA_ElecEnergy) -> float
 
How close two heavy atoms have to be such that their hydrogen atoms might interact, squared.
hydrogenatom_heavyatom_energy(...) from builtins.PyCapsule
hydrogenatom_heavyatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
hydrogenatom_hydrogenatom_energy(...) from builtins.PyCapsule
hydrogenatom_hydrogenatom_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, at1 : rosetta.core.scoring.elec.ElecAtom, at2 : rosetta.core.scoring.elec.ElecAtom,  : int) -> float
initialize(...) from builtins.PyCapsule
initialize(rosetta.core.scoring.elec.FA_ElecEnergy) -> NoneType
 
Initilize constants.
residue_pair_energy_ext(...) from builtins.PyCapsule
residue_pair_energy_ext(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResPairMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
setup_for_minimizing(...) from builtins.PyCapsule
setup_for_minimizing(self : rosetta.core.scoring.elec.FA_ElecEnergy, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_map : rosetta.core.kinematics.MinimizerMapBase) -> NoneType
 
stashes nblist if use_nblist is true
setup_for_minimizing_for_residue_pair(...) from builtins.PyCapsule
setup_for_minimizing_for_residue_pair(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res1_data_cache : rosetta.core.scoring.ResSingleMinimizationData, res2_data_cache : rosetta.core.scoring.ResSingleMinimizationData, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
sidechain_sidechain_energy(...) from builtins.PyCapsule
sidechain_sidechain_energy(self : rosetta.core.scoring.elec.FA_ElecEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType

Methods inherited from rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy:
method_type(...) from builtins.PyCapsule
method_type(rosetta.core.scoring.methods.ContextIndependentTwoBodyEnergy) -> rosetta.core.scoring.methods.EnergyMethodType

Methods inherited from rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy:
evaluate_rotamer_background_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_background_energy_maps(self : rosetta.core.scoring.methods.ShortRangeTwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, residue : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
 
Batch computation of rotamer/background energies.  Need not be overriden
 in derived class -- by default, iterates over all rotamers in the set, and calls
 derived class's residue_pair_energy method for each one against the background rotamer
 Since short range rotamer pairs may not need calculation, the default method
 looks at blocks of residue type pairs and only calls the residue_pair_energy method
 if the rotamer pairs are within range

Methods inherited from rosetta.core.scoring.methods.TwoBodyEnergy:
bump_energy_backbone(...) from builtins.PyCapsule
bump_energy_backbone(self : rosetta.core.scoring.methods.TwoBodyEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
bump_energy_full(...) from builtins.PyCapsule
bump_energy_full(self : rosetta.core.scoring.methods.TwoBodyEnergy,  : rosetta.core.conformation.Residue,  : rosetta.core.conformation.Residue,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction,  : rosetta.core.scoring.EMapVector) -> NoneType
defines_intrares_dof_derivatives(...) from builtins.PyCapsule
defines_intrares_dof_derivatives(self : rosetta.core.scoring.methods.TwoBodyEnergy, p : rosetta.core.pose.Pose) -> bool
 
Use the dof_derivative interface for this energy method when
 calculating derivatives?  It is possible to define both dof_derivatives and
 atom-derivatives; they are not mutually exclusive.
defines_intrares_energy_for_residue(...) from builtins.PyCapsule
defines_intrares_energy_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, res : rosetta.core.conformation.Residue) -> bool
 
If a score function defines no intra-residue scores for a particular
 residue, then it may opt-out of being asked during minimization to evaluate
 the score for this residue.
eval_intrares_derivatives(...) from builtins.PyCapsule
eval_intrares_derivatives(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, weights : rosetta.core.scoring.EMapVector, atom_derivs : rosetta.utility.vector1_core_scoring_DerivVectorPair) -> NoneType
 
Evaluate the derivative for the intra-residue component of this energy method
 for all the atoms in a residue in the context of a particular pose,
 and increment the F1 and F2 vectors held in the atom_derivs vector1.
 This base class provides a default noop implementation
 of this function. The calling function must guarantee that this EnergyMethod has had the
 opportunity to update the input ResSingleMinimizationData object for the given residue
 in a call to prepare_for_minimization before this function is invoked.
 The calling function must also guarantee that there are at least as many entries
 in the atom_derivs vector1 as there are atoms in the input rsd.
eval_intrares_energy_ext(...) from builtins.PyCapsule
eval_intrares_energy_ext(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, data_cache : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emap : rosetta.core.scoring.EMapVector) -> NoneType
 
Evaluate the intra-residue energy for a given residue using the data held within the
 ResSingleMinimizationData object.  This function should be invoked only on derived instances
 of this class if they return "true" in a call to their use_extended_intrares_energy_interface
 method.  This base class provides a noop implementation for classes that do not implement this
 interface, or that do not define intrares energies.
eval_intraresidue_dof_derivative(...) from builtins.PyCapsule
eval_intraresidue_dof_derivative(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, min_data : rosetta.core.scoring.ResSingleMinimizationData, dof_id : rosetta.core.id.DOF_ID, torsion_id : rosetta.core.id.TorsionID, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, weights : rosetta.core.scoring.EMapVector) -> float
 
Evaluate the DOF derivative for a particular residue.  The Pose merely serves as context,
 and the input residue is not required to be a member of the Pose.
evaluate_rotamer_intrares_energies(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energies(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, energies : rosetta.utility.vector1_float) -> NoneType
 
Batch computation of rotamer intrares energies.  Need not be overriden in
 derived class -- by default, iterates over all rotamers,
 and calls derived class's intrares _energy method.
evaluate_rotamer_intrares_energy_maps(...) from builtins.PyCapsule
evaluate_rotamer_intrares_energy_maps(self : rosetta.core.scoring.methods.TwoBodyEnergy, set : rosetta.core.conformation.RotamerSetBase, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, emaps : rosetta.utility.vector1_core_scoring_EMapVector) -> NoneType
 
Batch computation of rotamer intrares energy map.  Need not be overriden in
 derived class -- by default, iterates over all rotamers,
 and calls derived class's intrares _energy method.
requires_a_setup_for_derivatives_for_residue_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_derivatives_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue before derivative evaluation begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
requires_a_setup_for_derivatives_for_residue_pair_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_derivatives_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue pair before derivative evaluation begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
requires_a_setup_for_scoring_for_residue_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_scoring_for_residue_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine the residue before scoring begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residues that are uninterested
 in doing so.
requires_a_setup_for_scoring_for_residue_pair_opportunity(...) from builtins.PyCapsule
requires_a_setup_for_scoring_for_residue_pair_opportunity(self : rosetta.core.scoring.methods.TwoBodyEnergy, pose : rosetta.core.pose.Pose) -> bool
 
Does this EnergyMethod require the opportunity to examine each residue pair before scoring begins?  Not
 all energy methods would.  The ScoreFunction will not ask energy methods to examine residue pairs that are uninterested
 in doing so.
setup_for_derivatives_for_residue(...) from builtins.PyCapsule
setup_for_derivatives_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Do any setup work necessary before evaluating the derivatives for this residue
setup_for_derivatives_for_residue_pair(...) from builtins.PyCapsule
setup_for_derivatives_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
Do any setup work necessary before evaluating the derivatives for this residue pair
setup_for_minimizing_for_residue(...) from builtins.PyCapsule
setup_for_minimizing_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, minmap : rosetta.core.kinematics.MinimizerMapBase, res_data_cache : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Called at the beginning of minimization, allowing this energy method to cache data
 pertinent for a single residue in the the ResPairMinimizationData that is used for a
 particular residue in the context of a particular Pose.  This base class provides a noop
 implementation for this function if there is nothing that the derived class needs to perform
 in this setup phase.
setup_for_scoring_for_residue(...) from builtins.PyCapsule
setup_for_scoring_for_residue(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd : rosetta.core.conformation.Residue, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, min_data : rosetta.core.scoring.ResSingleMinimizationData) -> NoneType
 
Do any setup work should the coordinates of this residue (who is still guaranteed to be
 of the same residue type as when setup_for_minimizing_for_residue was called) have changed so dramatically
 as to possibly require some amount of setup work before scoring should proceed.
 This function is used for both intra-residue setup and pre-inter-residue setup
setup_for_scoring_for_residue_pair(...) from builtins.PyCapsule
setup_for_scoring_for_residue_pair(self : rosetta.core.scoring.methods.TwoBodyEnergy, rsd1 : rosetta.core.conformation.Residue, rsd2 : rosetta.core.conformation.Residue, minsingle_data1 : rosetta.core.scoring.ResSingleMinimizationData, minsingle_data2 : rosetta.core.scoring.ResSingleMinimizationData, pose : rosetta.core.pose.Pose, sfxn : rosetta.core.scoring.ScoreFunction, data_cache : rosetta.core.scoring.ResPairMinimizationData) -> NoneType
 
Do any setup work should the coordinates of a pair of residues, who are still guaranteed to be
 of the same residue type as when setup_for_minimizing_for_residue was called, have changed so dramatically
 as to possibly require some amount of setup work before scoring should proceed
use_extended_intrares_energy_interface(...) from builtins.PyCapsule
use_extended_intrares_energy_interface(rosetta.core.scoring.methods.TwoBodyEnergy) -> bool
 
Derived classes wishing to invoke the alternate, extended interface for eval_intrares_energy
 during minimization routines should return "true" when this function is invoked on them.  This
 class provides a default "return false" implementation so that classes not desiring to take advantage
 of this alternate interface need to do nothing.

Methods inherited from rosetta.core.scoring.methods.EnergyMethod:
defines_high_order_terms(...) from builtins.PyCapsule
defines_high_order_terms(self : rosetta.core.scoring.methods.EnergyMethod,  : rosetta.core.pose.Pose) -> bool
 
Should this EnergyMethod have score and derivative evaluation
 evaluated both in the context of the whole Pose and in the context
 of residue or residue-pairs?  This covers scoring terms like env-smooth
 wherein the CBeta's get derivatives for increasing the neighbor counts
 for surrounding residues, and terms like constraints, which are definable
 on arbitrary number of residues (e.g. more than 2); both of these terms
 could be used in RTMin, and both should use the residue and residue-pair
 evaluation scheme with the MinimizationGraph for the majority of the
 work they do.  (Now, high-order constraints (3-body or above) will not
 be properly evaluated within RTMin.).  The default implementation
 returns "false".
finalize_after_derivatives(...) from builtins.PyCapsule
finalize_after_derivatives(self : rosetta.core.scoring.methods.EnergyMethod,  : rosetta.core.pose.Pose,  : rosetta.core.scoring.ScoreFunction) -> NoneType
 
called at the end of derivatives evaluation
score_types(...) from builtins.PyCapsule
score_types(rosetta.core.scoring.methods.EnergyMethod) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Returns the score types that this energy method computes.

 
class RNA_FA_ElecEnergyCreator(rosetta.core.scoring.methods.EnergyMethodCreator)
    
Method resolution order:
RNA_FA_ElecEnergyCreator
rosetta.core.scoring.methods.EnergyMethodCreator
builtins.object

Methods defined here:
__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.elec.RNA_FA_ElecEnergyCreator,  : rosetta.core.scoring.elec.RNA_FA_ElecEnergyCreator) -> rosetta.core.scoring.elec.RNA_FA_ElecEnergyCreator
create_energy_method(...) from builtins.PyCapsule
create_energy_method(self : rosetta.core.scoring.elec.RNA_FA_ElecEnergyCreator,  : rosetta.core.scoring.methods.EnergyMethodOptions) -> rosetta.core.scoring.methods.EnergyMethod
 
Instantiate a new RNA_FA_ElecEnergy
score_types_for_method(...) from builtins.PyCapsule
score_types_for_method(rosetta.core.scoring.elec.RNA_FA_ElecEnergyCreator) -> rosetta.utility.vector1_core_scoring_ScoreType
 
Return the set of score types claimed by the EnergyMethod
 this EnergyMethodCreator creates in its create_energy_method() function

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

Data descriptors defined here:
wbb_bb_
wbb_sc_
wsc_sc_

 
Functions
       
read_cp_tables_from_db(...) method of builtins.PyCapsule instance
read_cp_tables_from_db(filename : str) -> 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
 
Read the CP tables from the database and return an owning pointer to the
 new object created in memory.
 
 
 Called by the ScoringManager to allow these data to be read in once and
 only once.