packstat

• old

Bindings for core::scoring::packstat namespace

class pyrosetta.rosetta.core.scoring.packstat.Accumulator

Bases: pybind11_object

accumulate_area(self: pyrosetta.rosetta.core.scoring.packstat.Accumulator, atom: pyrosetta.rosetta.core.id.AtomID, area: float, buried: bool) → None

C++: core::scoring::packstat::Accumulator::accumulate_area(class core::id::AtomID, double, bool) –> void

accumulate_dxdy(self: pyrosetta.rosetta.core.scoring.packstat.Accumulator, atom: pyrosetta.rosetta.core.id.AtomID, dx: float, dy: float, buried: bool) → None

C++: core::scoring::packstat::Accumulator::accumulate_dxdy(class core::id::AtomID, double, double, bool) –> void

assign(self: pyrosetta.rosetta.core.scoring.packstat.Accumulator, : pyrosetta.rosetta.core.scoring.packstat.Accumulator) → pyrosetta.rosetta.core.scoring.packstat.Accumulator

C++: core::scoring::packstat::Accumulator::operator=(const struct core::scoring::packstat::Accumulator &) –> struct core::scoring::packstat::Accumulator &

class pyrosetta.rosetta.core.scoring.packstat.AreaAccumulator

Bases: Accumulator

accumulate_area(self: pyrosetta.rosetta.core.scoring.packstat.AreaAccumulator, : pyrosetta.rosetta.core.id.AtomID, area: float, buried: bool) → None

C++: core::scoring::packstat::AreaAccumulator::accumulate_area(class core::id::AtomID, double, bool) –> void

accumulate_dxdy(self: pyrosetta.rosetta.core.scoring.packstat.AreaAccumulator, : pyrosetta.rosetta.core.id.AtomID, : float, : float, : bool) → None

C++: core::scoring::packstat::AreaAccumulator::accumulate_dxdy(class core::id::AtomID, double, double, bool) –> void

assign(self: pyrosetta.rosetta.core.scoring.packstat.AreaAccumulator, : pyrosetta.rosetta.core.scoring.packstat.AreaAccumulator) → pyrosetta.rosetta.core.scoring.packstat.AreaAccumulator

C++: core::scoring::packstat::AreaAccumulator::operator=(const struct core::scoring::packstat::AreaAccumulator &) –> struct core::scoring::packstat::AreaAccumulator &

property buried_area

reset(self: pyrosetta.rosetta.core.scoring.packstat.AreaAccumulator) → None

C++: core::scoring::packstat::AreaAccumulator::reset() –> void

property total_area

class pyrosetta.rosetta.core.scoring.packstat.Array2D

Bases: pybind11_object

property Nx_

property Ny_

assign(self: pyrosetta.rosetta.core.scoring.packstat.Array2D, : pyrosetta.rosetta.core.scoring.packstat.Array2D) → pyrosetta.rosetta.core.scoring.packstat.Array2D

C++: core::scoring::packstat::Array2D::operator=(const struct core::scoring::packstat::Array2D &) –> struct core::scoring::packstat::Array2D &

init(self: pyrosetta.rosetta.core.scoring.packstat.Array2D, Nx: int, Ny: int) → None

C++: core::scoring::packstat::Array2D::init(unsigned long, unsigned long) –> void

class pyrosetta.rosetta.core.scoring.packstat.AtomRadiusMap

Bases: pybind11_object

get_radius(self: pyrosetta.rosetta.core.scoring.packstat.AtomRadiusMap, type: str, res: str) → float

C++: core::scoring::packstat::AtomRadiusMap::get_radius(std::string, std::string) const –> double

class pyrosetta.rosetta.core.scoring.packstat.CavityBall

Bases: pybind11_object

property anb

property area

property cluster_

property evdw

property exposed_radius

hetero_atom_line(*args, **kwargs)

Overloaded function.

1. hetero_atom_line(self: pyrosetta.rosetta.core.scoring.packstat.CavityBall) -> str

2. hetero_atom_line(self: pyrosetta.rosetta.core.scoring.packstat.CavityBall, hetresnum: int) -> str

3. hetero_atom_line(self: pyrosetta.rosetta.core.scoring.packstat.CavityBall, hetresnum: int, chain: int) -> str

4. hetero_atom_line(self: pyrosetta.rosetta.core.scoring.packstat.CavityBall, hetresnum: int, chain: int, radsub: float) -> str

C++: core::scoring::packstat::CavityBall::hetero_atom_line(int, int, double) const –> const std::string

id(self: pyrosetta.rosetta.core.scoring.packstat.CavityBall) → int

C++: core::scoring::packstat::CavityBall::id() const –> int

property id_

radius(self: pyrosetta.rosetta.core.scoring.packstat.CavityBall) → float

C++: core::scoring::packstat::CavityBall::radius() const –> double

property radius_

sphere(self: pyrosetta.rosetta.core.scoring.packstat.CavityBall) → int

C++: core::scoring::packstat::CavityBall::sphere() const –> int

property sphere_

str(self: pyrosetta.rosetta.core.scoring.packstat.CavityBall) → str

C++: core::scoring::packstat::CavityBall::str() const –> const std::string

property vol

xyz(self: pyrosetta.rosetta.core.scoring.packstat.CavityBall) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: core::scoring::packstat::CavityBall::xyz() const –> class numeric::xyzVector<double>

property xyz_

class pyrosetta.rosetta.core.scoring.packstat.CavityBallCluster

Bases: pybind11_object

property cavballs

property center

property surface_accessibility

property surface_area

property volume

class pyrosetta.rosetta.core.scoring.packstat.Circle

Bases: pybind11_object

property atom

contains(self: pyrosetta.rosetta.core.scoring.packstat.Circle, _x: float, _y: float) → bool

C++: core::scoring::packstat::Circle::contains(double, double) –> bool

property dada

does_overlap(self: pyrosetta.rosetta.core.scoring.packstat.Circle, other: pyrosetta.rosetta.core.scoring.packstat.Circle) → bool

C++: core::scoring::packstat::Circle::does_overlap(struct core::scoring::packstat::Circle *) –> bool

property drdz

overlap(self: pyrosetta.rosetta.core.scoring.packstat.Circle, other: pyrosetta.rosetta.core.scoring.packstat.Circle) → pyrosetta.rosetta.core.scoring.packstat.PointPair

C++: core::scoring::packstat::Circle::overlap(struct core::scoring::packstat::Circle *) –> struct core::scoring::packstat::PointPair

property r

property x

property y

class pyrosetta.rosetta.core.scoring.packstat.Event

Bases: pybind11_object

property ccw_angle

cmp(self: pyrosetta.rosetta.core.scoring.packstat.Event, other: pyrosetta.rosetta.core.scoring.packstat.Event) → int

C++: core::scoring::packstat::Event::cmp(struct core::scoring::packstat::Event *) –> int

property cw_angle

property kind

property x

property y

class pyrosetta.rosetta.core.scoring.packstat.EventType

Bases: pybind11_object

Members:

ENTER

EXIT

ISECT

ENTER = <EventType.ENTER: 0>

EXIT = <EventType.EXIT: 1>

ISECT = <EventType.ISECT: 2>

property name

property value

class pyrosetta.rosetta.core.scoring.packstat.LR_AtomData

Bases: pybind11_object

property area

assign(self: pyrosetta.rosetta.core.scoring.packstat.LR_AtomData, : pyrosetta.rosetta.core.scoring.packstat.LR_AtomData) → pyrosetta.rosetta.core.scoring.packstat.LR_AtomData

C++: core::scoring::packstat::LR_AtomData::operator=(const struct core::scoring::packstat::LR_AtomData &) –> struct core::scoring::packstat::LR_AtomData &

property dx

property dy

class pyrosetta.rosetta.core.scoring.packstat.LR_MP_AtomData

Bases: pybind11_object

property area

assign(self: pyrosetta.rosetta.core.scoring.packstat.LR_MP_AtomData, : pyrosetta.rosetta.core.scoring.packstat.LR_MP_AtomData) → pyrosetta.rosetta.core.scoring.packstat.LR_MP_AtomData

C++: core::scoring::packstat::LR_MP_AtomData::operator=(const struct core::scoring::packstat::LR_MP_AtomData &) –> struct core::scoring::packstat::LR_MP_AtomData &

property barea

property bdx

property bdy

property dx

property dy

class pyrosetta.rosetta.core.scoring.packstat.LeeRichards

Bases: pybind11_object

find_first_slice(self: pyrosetta.rosetta.core.scoring.packstat.LeeRichards, r: float) → int

C++: core::scoring::packstat::LeeRichards::find_first_slice(double) –> unsigned long

get_surface_area(self: pyrosetta.rosetta.core.scoring.packstat.LeeRichards) → float

C++: core::scoring::packstat::LeeRichards::get_surface_area() const –> double

class pyrosetta.rosetta.core.scoring.packstat.MultiProbePerSphereAccumulator

Bases: Accumulator

accumulate_area(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePerSphereAccumulator, id: pyrosetta.rosetta.core.id.AtomID, area: float, : bool) → None

C++: core::scoring::packstat::MultiProbePerSphereAccumulator::accumulate_area(class core::id::AtomID, double, bool) –> void

accumulate_dxdy(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePerSphereAccumulator, id: pyrosetta.rosetta.core.id.AtomID, dx: float, dy: float, : bool) → None

C++: core::scoring::packstat::MultiProbePerSphereAccumulator::accumulate_dxdy(class core::id::AtomID, double, double, bool) –> void

assign(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePerSphereAccumulator, : pyrosetta.rosetta.core.scoring.packstat.MultiProbePerSphereAccumulator) → pyrosetta.rosetta.core.scoring.packstat.MultiProbePerSphereAccumulator

C++: core::scoring::packstat::MultiProbePerSphereAccumulator::operator=(const struct core::scoring::packstat::MultiProbePerSphereAccumulator &) –> struct core::scoring::packstat::MultiProbePerSphereAccumulator &

property atom_map_

compute_surrounding_sasa(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePerSphereAccumulator, center: pyrosetta.rosetta.numeric.xyzVector_double_t) → pyrosetta.rosetta.core.scoring.packstat.PackingScoreResData

C++: core::scoring::packstat::MultiProbePerSphereAccumulator::compute_surrounding_sasa(class numeric::xyzVector<double> &) –> class std::shared_ptr<struct core::scoring::packstat::PackingScoreResData>

get_pr_idx(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePerSphereAccumulator) → int

C++: core::scoring::packstat::MultiProbePerSphereAccumulator::get_pr_idx() –> unsigned long

property pd_

property pr_idx_

set_pr_idx(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePerSphereAccumulator, pr_idx: int) → None

C++: core::scoring::packstat::MultiProbePerSphereAccumulator::set_pr_idx(unsigned long) –> void

show(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePerSphereAccumulator, out: pyrosetta.rosetta.std.ostream) → None

C++: core::scoring::packstat::MultiProbePerSphereAccumulator::show(std::ostream &) –> void

class pyrosetta.rosetta.core.scoring.packstat.MultiProbePoseAccumulator

Bases: Accumulator

accumulate_area(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePoseAccumulator, id: pyrosetta.rosetta.core.id.AtomID, area: float, buried: bool) → None

C++: core::scoring::packstat::MultiProbePoseAccumulator::accumulate_area(class core::id::AtomID, double, bool) –> void

accumulate_dxdy(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePoseAccumulator, id: pyrosetta.rosetta.core.id.AtomID, dx: float, dy: float, buried: bool) → None

C++: core::scoring::packstat::MultiProbePoseAccumulator::accumulate_dxdy(class core::id::AtomID, double, double, bool) –> void

assign(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePoseAccumulator, : pyrosetta.rosetta.core.scoring.packstat.MultiProbePoseAccumulator) → pyrosetta.rosetta.core.scoring.packstat.MultiProbePoseAccumulator

C++: core::scoring::packstat::MultiProbePoseAccumulator::operator=(const struct core::scoring::packstat::MultiProbePoseAccumulator &) –> struct core::scoring::packstat::MultiProbePoseAccumulator &

property atom_map_

get_pr_idx(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePoseAccumulator) → int

C++: core::scoring::packstat::MultiProbePoseAccumulator::get_pr_idx() –> unsigned long

property pose_

property pr_idx_

set_pr_idx(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePoseAccumulator, pr_idx: int) → None

C++: core::scoring::packstat::MultiProbePoseAccumulator::set_pr_idx(unsigned long) –> void

show(self: pyrosetta.rosetta.core.scoring.packstat.MultiProbePoseAccumulator, out: pyrosetta.rosetta.std.ostream) → None

C++: core::scoring::packstat::MultiProbePoseAccumulator::show(std::ostream &) –> void

property tag_

class pyrosetta.rosetta.core.scoring.packstat.Octree2D

Bases: pybind11_object

property Xdim_

property Ydim_

contains(*args, **kwargs)

Overloaded function.

1. contains(self: pyrosetta.rosetta.core.scoring.packstat.Octree2D, x: float, y: float) -> bool

2. contains(self: pyrosetta.rosetta.core.scoring.packstat.Octree2D, x: float, y: float, extend: int) -> bool

3. contains(self: pyrosetta.rosetta.core.scoring.packstat.Octree2D, x: float, y: float, extend: int, exclude1: pyrosetta.rosetta.core.scoring.packstat.Circle) -> bool

4. contains(self: pyrosetta.rosetta.core.scoring.packstat.Octree2D, x: float, y: float, extend: int, exclude1: pyrosetta.rosetta.core.scoring.packstat.Circle, exclude2: pyrosetta.rosetta.core.scoring.packstat.Circle) -> bool

C++: core::scoring::packstat::Octree2D::contains(double, double, int, struct core::scoring::packstat::Circle *, struct core::scoring::packstat::Circle *) –> bool

property cubes

get_cube(self: pyrosetta.rosetta.core.scoring.packstat.Octree2D, a: pyrosetta.rosetta.core.scoring.packstat.Circle) → pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Circle_*

C++: core::scoring::packstat::Octree2D::get_cube(struct core::scoring::packstat::Circle *) –> class utility::vector1<struct core::scoring::packstat::Circle *, class std::allocator<struct core::scoring::packstat::Circle *> > &

get_i(self: pyrosetta.rosetta.core.scoring.packstat.Octree2D, x: float) → int

C++: core::scoring::packstat::Octree2D::get_i(double) const –> unsigned long

get_j(self: pyrosetta.rosetta.core.scoring.packstat.Octree2D, y: float) → int

C++: core::scoring::packstat::Octree2D::get_j(double) const –> unsigned long

property mnx_

property mny_

property mxr_

property mxx_

property mxy_

class pyrosetta.rosetta.core.scoring.packstat.OrderCBC

Bases: pybind11_object

class pyrosetta.rosetta.core.scoring.packstat.PackingScore

Bases: pybind11_object

center(self: pyrosetta.rosetta.core.scoring.packstat.PackingScore, rad: int, pr: int) → float

C++: core::scoring::packstat::PackingScore::center(unsigned long, unsigned long) –> double &

compprob(self: pyrosetta.rosetta.core.scoring.packstat.PackingScore) → bool

C++: core::scoring::packstat::PackingScore::compprob() –> bool &

npr(self: pyrosetta.rosetta.core.scoring.packstat.PackingScore) → int

C++: core::scoring::packstat::PackingScore::npr() const –> unsigned long

nrad(self: pyrosetta.rosetta.core.scoring.packstat.PackingScore) → int

C++: core::scoring::packstat::PackingScore::nrad() const –> unsigned long

probA(self: pyrosetta.rosetta.core.scoring.packstat.PackingScore) → float

C++: core::scoring::packstat::PackingScore::probA() –> double &

probB(self: pyrosetta.rosetta.core.scoring.packstat.PackingScore) → float

C++: core::scoring::packstat::PackingScore::probB() –> double &

rho(self: pyrosetta.rosetta.core.scoring.packstat.PackingScore) → float

C++: core::scoring::packstat::PackingScore::rho() –> double &

score(self: pyrosetta.rosetta.core.scoring.packstat.PackingScore, dat: pyrosetta.rosetta.core.scoring.packstat.PackingScoreResData) → float

C++: core::scoring::packstat::PackingScore::score(class std::shared_ptr<const struct core::scoring::packstat::PackingScoreResData>) const –> double

weight(self: pyrosetta.rosetta.core.scoring.packstat.PackingScore, rad: int, pr: int) → float

C++: core::scoring::packstat::PackingScore::weight(unsigned long, unsigned long) –> double &

class pyrosetta.rosetta.core.scoring.packstat.PackingScoreResData

Bases: pybind11_object

msa(self: pyrosetta.rosetta.core.scoring.packstat.PackingScoreResData, rad: int, pr: int) → float

C++: core::scoring::packstat::PackingScoreResData::msa(unsigned long, unsigned long) –> double &

npr(self: pyrosetta.rosetta.core.scoring.packstat.PackingScoreResData) → int

C++: core::scoring::packstat::PackingScoreResData::npr() const –> unsigned long

nrad(self: pyrosetta.rosetta.core.scoring.packstat.PackingScoreResData) → int

C++: core::scoring::packstat::PackingScoreResData::nrad() const –> unsigned long

class pyrosetta.rosetta.core.scoring.packstat.PerSphereAccumulator

Bases: Accumulator

accumulate_area(self: pyrosetta.rosetta.core.scoring.packstat.PerSphereAccumulator, id: pyrosetta.rosetta.core.id.AtomID, area: float, : bool) → None

C++: core::scoring::packstat::PerSphereAccumulator::accumulate_area(class core::id::AtomID, double, bool) –> void

accumulate_dxdy(self: pyrosetta.rosetta.core.scoring.packstat.PerSphereAccumulator, id: pyrosetta.rosetta.core.id.AtomID, dx: float, dy: float, : bool) → None

C++: core::scoring::packstat::PerSphereAccumulator::accumulate_dxdy(class core::id::AtomID, double, double, bool) –> void

assign(self: pyrosetta.rosetta.core.scoring.packstat.PerSphereAccumulator, : pyrosetta.rosetta.core.scoring.packstat.PerSphereAccumulator) → pyrosetta.rosetta.core.scoring.packstat.PerSphereAccumulator

C++: core::scoring::packstat::PerSphereAccumulator::operator=(const struct core::scoring::packstat::PerSphereAccumulator &) –> struct core::scoring::packstat::PerSphereAccumulator &

property atom_map_

class pyrosetta.rosetta.core.scoring.packstat.Point

Bases: pybind11_object

property x

property y

class pyrosetta.rosetta.core.scoring.packstat.PointPair

Bases: pybind11_object

property a

property b

class pyrosetta.rosetta.core.scoring.packstat.PosePackData

Bases: pybind11_object

assign(self: pyrosetta.rosetta.core.scoring.packstat.PosePackData, : pyrosetta.rosetta.core.scoring.packstat.PosePackData) → pyrosetta.rosetta.core.scoring.packstat.PosePackData

C++: core::scoring::packstat::PosePackData::operator=(const struct core::scoring::packstat::PosePackData &) –> struct core::scoring::packstat::PosePackData &

property centers

property labels

property spheres

class pyrosetta.rosetta.core.scoring.packstat.SasaOptions

Bases: pybind11_object

property area_cav_ball_required_exposed

assign(self: pyrosetta.rosetta.core.scoring.packstat.SasaOptions, : pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → pyrosetta.rosetta.core.scoring.packstat.SasaOptions

C++: core::scoring::packstat::SasaOptions::operator=(const struct core::scoring::packstat::SasaOptions &) –> struct core::scoring::packstat::SasaOptions &

property cluster_min_volume

property dont_compute_cav_balls

property frac_cav_ball_required_exposed

property min_cav_ball_radius

property min_cluster_overlap

property min_hole_radius

property num_cav_ball_layers

property num_surrounding_sasa_bins

property probe_radii

property prune_cavity_burial_probe_radii

property prune_max_delta

property prune_max_iters

property surrounding_sasa_smoothing_window

class pyrosetta.rosetta.core.scoring.packstat.SasaResult

Bases: pybind11_object

assign(self: pyrosetta.rosetta.core.scoring.packstat.SasaResult, : pyrosetta.rosetta.core.scoring.packstat.SasaResult) → pyrosetta.rosetta.core.scoring.packstat.SasaResult

C++: core::scoring::packstat::SasaResult::operator=(const struct core::scoring::packstat::SasaResult &) –> struct core::scoring::packstat::SasaResult &

property cavballs

property sphere_sasa

class pyrosetta.rosetta.core.scoring.packstat.SimplePDB

Bases: pybind11_object

assign(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB, : pyrosetta.rosetta.core.scoring.packstat.SimplePDB) → pyrosetta.rosetta.core.scoring.packstat.SimplePDB

C++: core::scoring::packstat::SimplePDB::operator=(const class core::scoring::packstat::SimplePDB &) –> class core::scoring::packstat::SimplePDB &

atom(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB, i: int) → pyrosetta.rosetta.core.scoring.packstat.SimplePDB_Atom

C++: core::scoring::packstat::SimplePDB::atom(const unsigned long) –> struct core::scoring::packstat::SimplePDB_Atom &

atoms(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB) → pyrosetta.rosetta.utility.vector1_core_scoring_packstat_SimplePDB_Atom

C++: core::scoring::packstat::SimplePDB::atoms() –> class utility::vector1<struct core::scoring::packstat::SimplePDB_Atom, class std::allocator<struct core::scoring::packstat::SimplePDB_Atom> > &

get_pose_pack_data(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB) → pyrosetta.rosetta.core.scoring.packstat.PosePackData

C++: core::scoring::packstat::SimplePDB::get_pose_pack_data() const –> class std::shared_ptr<struct core::scoring::packstat::PosePackData>

get_res_centers(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB) → pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

C++: core::scoring::packstat::SimplePDB::get_res_centers() const –> class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > >

get_spheres(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB, arm: pyrosetta.rosetta.core.scoring.packstat.AtomRadiusMap) → pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere

C++: core::scoring::packstat::SimplePDB::get_spheres(const class core::scoring::packstat::AtomRadiusMap &) const –> class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> >

natom(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB) → int

C++: core::scoring::packstat::SimplePDB::natom() const –> unsigned long

num_water(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB) → int

C++: core::scoring::packstat::SimplePDB::num_water() const –> unsigned long

remove_surface_waters(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB) → None

C++: core::scoring::packstat::SimplePDB::remove_surface_waters() –> void

res_labels(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB) → pyrosetta.rosetta.utility.vector1_std_string

C++: core::scoring::packstat::SimplePDB::res_labels() const –> class utility::vector1<std::string, class std::allocator<std::string > > &

property res_labels_

class pyrosetta.rosetta.core.scoring.packstat.SimplePDB_Atom

Bases: pybind11_object

property ATOM

assign(self: pyrosetta.rosetta.core.scoring.packstat.SimplePDB_Atom, : pyrosetta.rosetta.core.scoring.packstat.SimplePDB_Atom) → pyrosetta.rosetta.core.scoring.packstat.SimplePDB_Atom

C++: core::scoring::packstat::SimplePDB_Atom::operator=(const struct core::scoring::packstat::SimplePDB_Atom &) –> struct core::scoring::packstat::SimplePDB_Atom &

property bfac

property chain

property icode

property lastcol

property num

property occ

property radius

property res

property resnum

property sasa

property type

property whole_line

property x

property xyz

property y

property z

class pyrosetta.rosetta.core.scoring.packstat.Slice

Bases: pybind11_object

property accum_

add_circle(self: pyrosetta.rosetta.core.scoring.packstat.Slice, circ: pyrosetta.rosetta.core.scoring.packstat.Circle) → None

C++: core::scoring::packstat::Slice::add_circle(struct core::scoring::packstat::Circle *) –> void

assign(self: pyrosetta.rosetta.core.scoring.packstat.Slice, : pyrosetta.rosetta.core.scoring.packstat.Slice) → pyrosetta.rosetta.core.scoring.packstat.Slice

C++: core::scoring::packstat::Slice::operator=(const struct core::scoring::packstat::Slice &) –> struct core::scoring::packstat::Slice &

property circles_

compute(self: pyrosetta.rosetta.core.scoring.packstat.Slice) → None

C++: core::scoring::packstat::Slice::compute() –> void

property events_

property internal_allowed_

property thickness_

property traces_

class pyrosetta.rosetta.core.scoring.packstat.Sphere

Bases: pybind11_object

property aid

property id

property radius

property sasa

property xyz

pyrosetta.rosetta.core.scoring.packstat.check_surface_area_leerichards_deriv(*args, **kwargs)

Overloaded function.

1. check_surface_area_leerichards_deriv(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

2. check_surface_area_leerichards_deriv(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

3. check_surface_area_leerichards_deriv(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool, max_num: int) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

C++: core::scoring::packstat::check_surface_area_leerichards_deriv(class std::shared_ptr<struct core::scoring::packstat::PosePackData>, double, double, bool, unsigned long) –> class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > >

pyrosetta.rosetta.core.scoring.packstat.compute_atom_packing_scores(*args, **kwargs)

Overloaded function.

1. compute_atom_packing_scores(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData) -> pyrosetta.rosetta.utility.vector1_double

2. compute_atom_packing_scores(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, oversample: int) -> pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::packstat::compute_atom_packing_scores(struct core::scoring::packstat::PosePackData &, unsigned long) –> class utility::vector1<double, class std::allocator<double> >

3. compute_atom_packing_scores(pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

4. compute_atom_packing_scores(pose: pyrosetta.rosetta.core.pose.Pose, oversample: int) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

C++: core::scoring::packstat::compute_atom_packing_scores(const class core::pose::Pose &, unsigned long) –> class core::id::AtomID_Map<double>

pyrosetta.rosetta.core.scoring.packstat.compute_cav_ball_clusters(cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBallCluster

C++: core::scoring::packstat::compute_cav_ball_clusters(class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const struct core::scoring::packstat::SasaOptions &) –> class utility::vector1<struct core::scoring::packstat::CavityBallCluster, class std::allocator<struct core::scoring::packstat::CavityBallCluster> >

pyrosetta.rosetta.core.scoring.packstat.compute_cav_ball_neighbor_count(spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, dis: float) → None

C++: core::scoring::packstat::compute_cav_ball_neighbor_count(class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, double) –> void

pyrosetta.rosetta.core.scoring.packstat.compute_cav_ball_volumes(cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → None

C++: core::scoring::packstat::compute_cav_ball_volumes(class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const struct core::scoring::packstat::SasaOptions &) –> void

pyrosetta.rosetta.core.scoring.packstat.compute_packing_score(*args, **kwargs)

Overloaded function.

1. compute_packing_score(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData) -> float

2. compute_packing_score(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, oversample: int) -> float

C++: core::scoring::packstat::compute_packing_score(struct core::scoring::packstat::PosePackData &, unsigned long) –> double

3. compute_packing_score(pose: pyrosetta.rosetta.core.pose.Pose) -> float

4. compute_packing_score(pose: pyrosetta.rosetta.core.pose.Pose, oversample: int) -> float

C++: core::scoring::packstat::compute_packing_score(const class core::pose::Pose &, unsigned long) –> double

pyrosetta.rosetta.core.scoring.packstat.compute_packing_score_leerichards(*args, **kwargs)

Overloaded function.

1. compute_packing_score_leerichards(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float) -> float

2. compute_packing_score_leerichards(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, plane: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: core::scoring::packstat::compute_packing_score_leerichards(class std::shared_ptr<struct core::scoring::packstat::PosePackData>, double, class numeric::xyzVector<double>) –> double

pyrosetta.rosetta.core.scoring.packstat.compute_residue_packing_score(*args, **kwargs)

Overloaded function.

1. compute_residue_packing_score(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, seqpos: int) -> float

2. compute_residue_packing_score(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, seqpos: int, oversample: int) -> float

C++: core::scoring::packstat::compute_residue_packing_score(struct core::scoring::packstat::PosePackData &, const int, unsigned long) –> double

3. compute_residue_packing_score(pose: pyrosetta.rosetta.core.pose.Pose, seqpos: int) -> float

4. compute_residue_packing_score(pose: pyrosetta.rosetta.core.pose.Pose, seqpos: int, oversample: int) -> float

C++: core::scoring::packstat::compute_residue_packing_score(const class core::pose::Pose &, const int, unsigned long) –> double

pyrosetta.rosetta.core.scoring.packstat.compute_residue_packing_scores(*args, **kwargs)

Overloaded function.

1. compute_residue_packing_scores(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData) -> pyrosetta.rosetta.utility.vector1_double

2. compute_residue_packing_scores(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, oversample: int) -> pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::packstat::compute_residue_packing_scores(struct core::scoring::packstat::PosePackData &, unsigned long) –> class utility::vector1<double, class std::allocator<double> >

3. compute_residue_packing_scores(pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.utility.vector1_double

4. compute_residue_packing_scores(pose: pyrosetta.rosetta.core.pose.Pose, oversample: int) -> pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::packstat::compute_residue_packing_scores(const class core::pose::Pose &, unsigned long) –> class utility::vector1<double, class std::allocator<double> >

pyrosetta.rosetta.core.scoring.packstat.compute_sasa(spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → pyrosetta.rosetta.core.scoring.packstat.SasaResult

C++: core::scoring::packstat::compute_sasa(class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, const struct core::scoring::packstat::SasaOptions &) –> class std::shared_ptr<struct core::scoring::packstat::SasaResult>

pyrosetta.rosetta.core.scoring.packstat.compute_surface_area_leerichards(*args, **kwargs)

Overloaded function.

1. compute_surface_area_leerichards(buried_area_out: float, pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float) -> float

2. compute_surface_area_leerichards(buried_area_out: float, pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool) -> float

3. compute_surface_area_leerichards(buried_area_out: float, pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool, plane: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: core::scoring::packstat::compute_surface_area_leerichards(double &, class std::shared_ptr<struct core::scoring::packstat::PosePackData>, double, double, bool, class numeric::xyzVector<double>) –> double

4. compute_surface_area_leerichards(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float) -> float

5. compute_surface_area_leerichards(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool) -> float

6. compute_surface_area_leerichards(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool, plane: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: core::scoring::packstat::compute_surface_area_leerichards(class std::shared_ptr<struct core::scoring::packstat::PosePackData>, double, double, bool, class numeric::xyzVector<double>) –> double

pyrosetta.rosetta.core.scoring.packstat.compute_surface_area_leerichards_deriv(*args, **kwargs)

Overloaded function.

1. compute_surface_area_leerichards_deriv(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

2. compute_surface_area_leerichards_deriv(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

C++: core::scoring::packstat::compute_surface_area_leerichards_deriv(class std::shared_ptr<struct core::scoring::packstat::PosePackData>, double, double, bool) –> class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > >

pyrosetta.rosetta.core.scoring.packstat.compute_surrounding_sasa(xyz: pyrosetta.rosetta.numeric.xyzVector_double_t, spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, result: pyrosetta.rosetta.core.scoring.packstat.SasaResult, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → pyrosetta.rosetta.core.scoring.packstat.PackingScoreResData

C++: core::scoring::packstat::compute_surrounding_sasa(const class numeric::xyzVector<double> &, class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, class std::shared_ptr<struct core::scoring::packstat::SasaResult>, const struct core::scoring::packstat::SasaOptions &) –> class std::shared_ptr<struct core::scoring::packstat::PackingScoreResData>

pyrosetta.rosetta.core.scoring.packstat.get_sasa_dot_locations() → pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

C++: core::scoring::packstat::get_sasa_dot_locations() –> const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > >

pyrosetta.rosetta.core.scoring.packstat.init_packing_score_discrim(p: pyrosetta.rosetta.core.scoring.packstat.PackingScore) → None

C++: core::scoring::packstat::init_packing_score_discrim(struct core::scoring::packstat::PackingScore &) –> void

pyrosetta.rosetta.core.scoring.packstat.init_packing_score_respred(p: pyrosetta.rosetta.core.scoring.packstat.PackingScore) → None

C++: core::scoring::packstat::init_packing_score_respred(struct core::scoring::packstat::PackingScore &) –> void

pyrosetta.rosetta.core.scoring.packstat.max_rad(*args, **kwargs)

Overloaded function.

1. max_rad(s: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere) -> float

C++: core::scoring::packstat::max_rad(const class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &) –> double

2. max_rad(s: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall) -> float

C++: core::scoring::packstat::max_rad(const class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &) –> double

pyrosetta.rosetta.core.scoring.packstat.output_packstat_pdb(pose: pyrosetta.rosetta.core.pose.Pose, out: pyrosetta.rosetta.std.ostream) → None

C++: core::scoring::packstat::output_packstat_pdb(class core::pose::Pose &, std::ostream &) –> void

pyrosetta.rosetta.core.scoring.packstat.pose_to_pack_data(*args, **kwargs)

Overloaded function.

1. pose_to_pack_data(pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.scoring.packstat.PosePackData

2. pose_to_pack_data(pose: pyrosetta.rosetta.core.pose.Pose, include_water: int) -> pyrosetta.rosetta.core.scoring.packstat.PosePackData

C++: core::scoring::packstat::pose_to_pack_data(const class core::pose::Pose &, int) –> struct core::scoring::packstat::PosePackData

pyrosetta.rosetta.core.scoring.packstat.prune_cavity_balls(spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall

C++: core::scoring::packstat::prune_cavity_balls(class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const struct core::scoring::packstat::SasaOptions &) –> class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> >

pyrosetta.rosetta.core.scoring.packstat.prune_hidden_cavity_balls(cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall

C++: core::scoring::packstat::prune_hidden_cavity_balls(class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const struct core::scoring::packstat::SasaOptions &) –> class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> >

pyrosetta.rosetta.core.scoring.packstat.search_x(*args, **kwargs)

Overloaded function.

1. search_x(spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, x: float, begin: int, end: int) -> int

C++: core::scoring::packstat::search_x(const class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, const double, unsigned long, unsigned long) –> unsigned long

2. search_x(spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, x: float) -> int

C++: core::scoring::packstat::search_x(const class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, const double) –> unsigned long

3. search_x(cbs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, x: float, begin: int, end: int) -> int

C++: core::scoring::packstat::search_x(const class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const double, unsigned long, unsigned long) –> unsigned long

4. search_x(cbs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, x: float) -> int

C++: core::scoring::packstat::search_x(const class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const double) –> unsigned long

pyrosetta.rosetta.core.scoring.packstat.select_cav_balls(cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, spacing: float) → pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall

C++: core::scoring::packstat::select_cav_balls(class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> >, double) –> class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> >

class pyrosetta.rosetta.core.scoring.packstat.trace

Bases: pybind11_object

property accum_

property angle

property arcs_

property ccw

end(*args, **kwargs)

Overloaded function.

1. end(self: pyrosetta.rosetta.core.scoring.packstat.trace, merge_trace: pyrosetta.rosetta.core.scoring.packstat.trace) -> None

2. end(self: pyrosetta.rosetta.core.scoring.packstat.trace, merge_trace: pyrosetta.rosetta.core.scoring.packstat.trace, end_angle: float) -> None

C++: core::scoring::packstat::trace::end(struct core::scoring::packstat::trace *, double) –> void

get_first(self: pyrosetta.rosetta.core.scoring.packstat.trace, stop: pyrosetta.rosetta.core.scoring.packstat.trace) → pyrosetta.rosetta.core.scoring.packstat.Event

C++: core::scoring::packstat::trace::get_first(struct core::scoring::packstat::trace *) –> struct core::scoring::packstat::Event *

next_circle(self: pyrosetta.rosetta.core.scoring.packstat.trace, newcircle: pyrosetta.rosetta.core.scoring.packstat.Circle, end_angle: float, begin_angle: float) → None

C++: core::scoring::packstat::trace::next_circle(struct core::scoring::packstat::Circle *, double, double) –> void

set_first(self: pyrosetta.rosetta.core.scoring.packstat.trace, stop: pyrosetta.rosetta.core.scoring.packstat.trace, e: pyrosetta.rosetta.core.scoring.packstat.Event) → None

C++: core::scoring::packstat::trace::set_first(struct core::scoring::packstat::trace *, struct core::scoring::packstat::Event *) –> void