fiber_diffraction

Bindings for core::scoring::fiber_diffraction namespace

class pyrosetta.rosetta.core.scoring.fiber_diffraction.CentroidScatter

Bases: pyrosetta.rosetta.basic.datacache.CacheableData

silly vector1 wrapper class so we can derive from PoseCachedData

__delattr__

Implement delattr(self, name).

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init__(*args, **kwargs)

Overloaded function.

1. __init__(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.CentroidScatter, sig_centroid_in: pyrosetta.rosetta.utility.vector1_core_scoring_fiber_diffraction_OneGaussianScattering) -> None
2. __init__(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.CentroidScatter, arg0: pyrosetta.rosetta.core.scoring.fiber_diffraction.CentroidScatter) -> None

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

assign(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.CentroidScatter, : pyrosetta.rosetta.core.scoring.fiber_diffraction.CentroidScatter) → pyrosetta.rosetta.core.scoring.fiber_diffraction.CentroidScatter

C++: core::scoring::fiber_diffraction::CentroidScatter::operator=(const class core::scoring::fiber_diffraction::CentroidScatter &) –> class core::scoring::fiber_diffraction::CentroidScatter &

clone(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.CentroidScatter) → pyrosetta.rosetta.basic.datacache.CacheableData

C++: core::scoring::fiber_diffraction::CentroidScatter::clone() const –> class std::shared_ptr<class basic::datacache::CacheableData>

getValues(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.CentroidScatter) → pyrosetta.rosetta.utility.vector1_core_scoring_fiber_diffraction_OneGaussianScattering

C++: core::scoring::fiber_diffraction::CentroidScatter::getValues() –> class utility::vector1<class core::scoring::fiber_diffraction::OneGaussianScattering, class std::allocator<class core::scoring::fiber_diffraction::OneGaussianScattering> >

get_self_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) → pyrosetta.rosetta.basic.datacache.CacheableData

C++: basic::datacache::CacheableData::get_self_ptr() –> class std::shared_ptr<class basic::datacache::CacheableData>

get_self_weak_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) → pyrosetta.rosetta.std.weak_ptr_basic_datacache_CacheableData_t

C++: basic::datacache::CacheableData::get_self_weak_ptr() –> class std::weak_ptr<class basic::datacache::CacheableData>

class pyrosetta.rosetta.core.scoring.fiber_diffraction.FAScatter

Bases: pyrosetta.rosetta.basic.datacache.CacheableData

silly vector1 wrapper class so we can derive from PoseCachedData

__delattr__

Implement delattr(self, name).

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init__(*args, **kwargs)

Overloaded function.

1. __init__(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FAScatter, form_factors_in: pyrosetta.rosetta.utility.vector0_utility_vector1_utility_vector1_double_std_allocator_double_std_allocator_utility_vector1_double_std_allocator_double_t) -> None
2. __init__(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FAScatter, arg0: pyrosetta.rosetta.core.scoring.fiber_diffraction.FAScatter) -> None

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

assign(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FAScatter, : pyrosetta.rosetta.core.scoring.fiber_diffraction.FAScatter) → pyrosetta.rosetta.core.scoring.fiber_diffraction.FAScatter

C++: core::scoring::fiber_diffraction::FAScatter::operator=(const class core::scoring::fiber_diffraction::FAScatter &) –> class core::scoring::fiber_diffraction::FAScatter &

clone(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FAScatter) → pyrosetta.rosetta.basic.datacache.CacheableData

C++: core::scoring::fiber_diffraction::FAScatter::clone() const –> class std::shared_ptr<class basic::datacache::CacheableData>

getValues(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FAScatter) → pyrosetta.rosetta.utility.vector0_utility_vector1_utility_vector1_double_std_allocator_double_std_allocator_utility_vector1_double_std_allocator_double_t

C++: core::scoring::fiber_diffraction::FAScatter::getValues() –> class utility::vector0<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > >, class std::allocator<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > >

get_self_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) → pyrosetta.rosetta.basic.datacache.CacheableData

C++: basic::datacache::CacheableData::get_self_ptr() –> class std::shared_ptr<class basic::datacache::CacheableData>

get_self_weak_ptr(self: pyrosetta.rosetta.basic.datacache.CacheableData) → pyrosetta.rosetta.std.weak_ptr_basic_datacache_CacheableData_t

C++: basic::datacache::CacheableData::get_self_weak_ptr() –> class std::weak_ptr<class basic::datacache::CacheableData>

class pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffractionOptionsCreator

Bases: pyrosetta.rosetta.basic.resource_manager.ResourceOptionsCreator

creator for the FiberDiffractionOptions class

__delattr__

Implement delattr(self, name).

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init__(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffractionOptionsCreator) → None

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

assign(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffractionOptionsCreator, : pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffractionOptionsCreator) → pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffractionOptionsCreator

C++: core::scoring::fiber_diffraction::FiberDiffractionOptionsCreator::operator=(const class core::scoring::fiber_diffraction::FiberDiffractionOptionsCreator &) –> class core::scoring::fiber_diffraction::FiberDiffractionOptionsCreator &

create_options(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffractionOptionsCreator) → pyrosetta.rosetta.basic.resource_manager.ResourceOptions

C++: core::scoring::fiber_diffraction::FiberDiffractionOptionsCreator::create_options() const –> class std::shared_ptr<class basic::resource_manager::ResourceOptions>

options_type(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffractionOptionsCreator) → str

C++: core::scoring::fiber_diffraction::FiberDiffractionOptionsCreator::options_type() const –> std::string

class pyrosetta.rosetta.core.scoring.fiber_diffraction.KromerMann

Bases: pybind11_builtins.pybind11_object

__delattr__

Implement delattr(self, name).

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init__(*args, **kwargs)

Overloaded function.

1. __init__(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.KromerMann) -> None
2. __init__(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.KromerMann, c: float, a1: float, a2: float, a3: float, a4: float, b1: float, b2: float, b3: float, b4: float) -> None

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

f0(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.KromerMann, S2: float) → float

C++: core::scoring::fiber_diffraction::KromerMann::f0(double) –> double

pyrosetta.rosetta.core.scoring.fiber_diffraction.NRbisafe(n: int, k1: float, k2: float, X1: float, X2: float) → float

C++: core::scoring::fiber_diffraction::NRbisafe(unsigned long, double, double, double, double) –> double

class pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering

Bases: pybind11_builtins.pybind11_object

C(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering, k: float) → float

C++: core::scoring::fiber_diffraction::OneGaussianScattering::C(double) const –> double

__delattr__

Implement delattr(self, name).

__dir__() → list

default dir() implementation

__eq__

Return self==value.

__format__()

default object formatter

__ge__

Return self>=value.

__getattribute__

Return getattr(self, name).

__gt__

Return self>value.

__hash__

Return hash(self).

__init__(*args, **kwargs)

Overloaded function.

1. __init__(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering) -> None
2. __init__(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering, w: int, s: float) -> None
3. __init__(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering, arg0: pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering) -> None

__init_subclass__()

This method is called when a class is subclassed.

The default implementation does nothing. It may be overridden to extend subclasses.

__le__

Return self<=value.

__lt__

Return self<value.

__ne__

Return self!=value.

__new__()

Create and return a new object. See help(type) for accurate signature.

__reduce__()

helper for pickle

__reduce_ex__()

helper for pickle

__repr__

Return repr(self).

__setattr__

Implement setattr(self, name, value).

__sizeof__() → int

size of object in memory, in bytes

__str__

Return str(self).

__subclasshook__()

Abstract classes can override this to customize issubclass().

This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).

a(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering) → int

C++: core::scoring::fiber_diffraction::OneGaussianScattering::a() const –> int

k(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering, B: float, min_grid: float) → float

C++: core::scoring::fiber_diffraction::OneGaussianScattering::k(double, double) const –> double

s(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering) → float

C++: core::scoring::fiber_diffraction::OneGaussianScattering::s() const –> float

pyrosetta.rosetta.core.scoring.fiber_diffraction.alpha_deriv_func(n: int, alpha: float) → float

C++: core::scoring::fiber_diffraction::alpha_deriv_func(unsigned long, double) –> double

pyrosetta.rosetta.core.scoring.fiber_diffraction.alpha_func(n: int, k1: float, k2: float, alpha: float) → float

C++: core::scoring::fiber_diffraction::alpha_func(unsigned long, double, double, double) –> double

pyrosetta.rosetta.core.scoring.fiber_diffraction.bessel_roots(lmax: int, c: float, res_cutoff_high: float, res_cutoff_low: float, structure_cutoff: float, bessel_roots_lE: pyrosetta.rosetta.utility.vector0_utility_vector1_double_std_allocator_double_t, sampling_points_l: pyrosetta.rosetta.utility.vector0_unsigned_long, lowest_bessel_orders_l: pyrosetta.rosetta.utility.vector0_unsigned_long, highest_resolution_l: pyrosetta.rosetta.utility.vector0_unsigned_long, lowest_resolution_l: pyrosetta.rosetta.utility.vector0_unsigned_long, layer_lines_R: __gnu_cxx::__normal_iterator<utility::vector1<double, std::allocator<double> >*, std::vector<utility::vector1<double, std::allocator<double> >, std::allocator<utility::vector1<double, std::allocator<double> > > > >, nvals: __gnu_cxx::__normal_iterator<utility::vector0<int, std::allocator<int> >*, std::vector<utility::vector0<int, std::allocator<int> >, std::allocator<utility::vector0<int, std::allocator<int> > > > >) → None

C++: core::scoring::fiber_diffraction::bessel_roots(const unsigned long &, const double &, const double &, const double &, double &, class utility::vector0<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > &, class utility::vector0<unsigned long, class std::allocator<unsigned long> > &, class utility::vector0<unsigned long, class std::allocator<unsigned long> > &, class utility::vector0<unsigned long, class std::allocator<unsigned long> > &, class utility::vector0<unsigned long, class std::allocator<unsigned long> > &, const class __gnu_cxx::__normal_iterator<class utility::vector1<double, class std::allocator<double> > *, class std::vector<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > &, const class __gnu_cxx::__normal_iterator<class utility::vector0<int, class std::allocator<int> > *, class std::vector<class utility::vector0<int, class std::allocator<int> >, class std::allocator<class utility::vector0<int, class std::allocator<int> > > > > &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.c_array_mult(length: int, dp_1: float, dp_2: float) → None

C++: core::scoring::fiber_diffraction::c_array_mult(unsigned long, double *, double *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.c_mult_ip(one: float, two: float) → None

C++: core::scoring::fiber_diffraction::c_mult_ip(double *, double *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.calculate_I_of_E(lmax: int, k_iteration: int, sampling_points_lE: pyrosetta.rosetta.utility.vector0_utility_vector1_double_std_allocator_double_t, natoms: int, c_: int, nvals: __gnu_cxx::__normal_iterator<utility::vector0<int, std::allocator<int> >*, std::vector<utility::vector0<int, std::allocator<int> >, std::allocator<utility::vector0<int, std::allocator<int> > > > >, atom_type_number: pyrosetta.rosetta.utility.vector1_unsigned_long, phi: pyrosetta.rosetta.utility.vector1_double, z: pyrosetta.rosetta.utility.vector1_double, r: pyrosetta.rosetta.utility.vector1_double, form_factors: __gnu_cxx::__normal_iterator<utility::vector1<utility::vector1<double, std::allocator<double> >, std::allocator<utility::vector1<double, std::allocator<double> > > >*, std::vector<utility::vector1<utility::vector1<double, std::allocator<double> >, std::allocator<utility::vector1<double, std::allocator<double> > > >, std::allocator<utility::vector1<utility::vector1<double, std::allocator<double> >, std::allocator<utility::vector1<double, std::allocator<double> > > > > > >, I_E: pyrosetta.rosetta.utility.vector0_utility_vector1_double_std_allocator_double_t) → None

C++: core::scoring::fiber_diffraction::calculate_I_of_E(const unsigned long &, const unsigned long &, const class utility::vector0<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > &, const unsigned long &, const unsigned long &, const class __gnu_cxx::__normal_iterator<class utility::vector0<int, class std::allocator<int> > *, class std::vector<class utility::vector0<int, class std::allocator<int> >, class std::allocator<class utility::vector0<int, class std::allocator<int> > > > > &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class __gnu_cxx::__normal_iterator<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > *, class std::vector<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > >, class std::allocator<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > > > &, class utility::vector0<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.calculate_chi2_free(pose: pyrosetta.rosetta.core.pose.Pose, chi_free_iterations_: int, lmax: int, layer_lines_I: __gnu_cxx::__normal_iterator<utility::vector1<double, std::allocator<double> >*, std::vector<utility::vector1<double, std::allocator<double> >, std::allocator<utility::vector1<double, std::allocator<double> > > > >, layer_lines_R: __gnu_cxx::__normal_iterator<utility::vector1<double, std::allocator<double> >*, std::vector<utility::vector1<double, std::allocator<double> >, std::allocator<utility::vector1<double, std::allocator<double> > > > >, natoms: int, c_: int, nvals: __gnu_cxx::__normal_iterator<utility::vector0<int, std::allocator<int> >*, std::vector<utility::vector0<int, std::allocator<int> >, std::allocator<utility::vector0<int, std::allocator<int> > > > >, atom_type_number: pyrosetta.rosetta.utility.vector1_unsigned_long, phi: pyrosetta.rosetta.utility.vector1_double, z: pyrosetta.rosetta.utility.vector1_double, r: pyrosetta.rosetta.utility.vector1_double, b_factor_: float, b_factor_solv: float, b_factor_solv_K: float) → float

C++: core::scoring::fiber_diffraction::calculate_chi2_free(class core::pose::Pose &, const unsigned long &, const unsigned long &, const class __gnu_cxx::__normal_iterator<class utility::vector1<double, class std::allocator<double> > *, class std::vector<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > &, const class __gnu_cxx::__normal_iterator<class utility::vector1<double, class std::allocator<double> > *, class std::vector<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > &, const unsigned long &, const unsigned long &, const class __gnu_cxx::__normal_iterator<class utility::vector0<int, class std::allocator<int> > *, class std::vector<class utility::vector0<int, class std::allocator<int> >, class std::allocator<class utility::vector0<int, class std::allocator<int> > > > > &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const double, const double, const double) –> double

pyrosetta.rosetta.core.scoring.fiber_diffraction.centroid_scatter(res_name: str, sig_centroid: pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering) → None

C++: core::scoring::fiber_diffraction::centroid_scatter(const class std::basic_string<char> &, class core::scoring::fiber_diffraction::OneGaussianScattering &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.d_array_scale(length: int, factor: float, dp_in: float) → None

C++: core::scoring::fiber_diffraction::d_array_scale(unsigned long, double, double *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.dfour1_plan(data: float, nn: int, isign: int, in: pyrosetta.rosetta.std.complex_double_t) → None

C++: core::scoring::fiber_diffraction::dfour1_plan(double *, unsigned long, int, struct std::complex<double> *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.factorsLTE19(X: int) → bool

C++: core::scoring::fiber_diffraction::factorsLTE19(int) –> bool

pyrosetta.rosetta.core.scoring.fiber_diffraction.factorsLTE5(X: int) → bool

C++: core::scoring::fiber_diffraction::factorsLTE5(int) –> bool

pyrosetta.rosetta.core.scoring.fiber_diffraction.findSampling(MINSMP: float, NMUL: int) → int

C++: core::scoring::fiber_diffraction::findSampling(double, int) –> int

pyrosetta.rosetta.core.scoring.fiber_diffraction.findSampling5(MINSMP: float, NMUL: int) → int

C++: core::scoring::fiber_diffraction::findSampling5(double, int) –> int

pyrosetta.rosetta.core.scoring.fiber_diffraction.find_max_r(pose: pyrosetta.rosetta.core.pose.Pose, maxR: float) → None

C++: core::scoring::fiber_diffraction::find_max_r(const class core::pose::Pose &, double &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.find_min_xyz(pose: pyrosetta.rosetta.core.pose.Pose, minX: float, minY: float, minZ: float, maxX: float, maxY: float, maxZ: float) → None

C++: core::scoring::fiber_diffraction::find_min_xyz(const class core::pose::Pose &, double &, double &, double &, double &, double &, double &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.find_num_scattering_atoms(pose: pyrosetta.rosetta.core.pose.Pose, nscatterers: int) → None

C++: core::scoring::fiber_diffraction::find_num_scattering_atoms(class core::pose::Pose &, unsigned long &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.find_pitch(pose: pyrosetta.rosetta.core.pose.Pose, pitch: float) → None

C++: core::scoring::fiber_diffraction::find_pitch(const class core::pose::Pose &, double &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.fit_layer_lines_with_splines(xvals: ObjexxFCL::FArray1D<float>, yvals: ObjexxFCL::FArray1D<float>) → pyrosetta.rosetta.numeric.interpolation.spline.Interpolator

C++: core::scoring::fiber_diffraction::fit_layer_lines_with_splines(class ObjexxFCL::FArray1D<float>, class ObjexxFCL::FArray1D<float>) –> class std::shared_ptr<class numeric::interpolation::spline::Interpolator>

pyrosetta.rosetta.core.scoring.fiber_diffraction.generate_shannon_points(lmax: int, dmax: float, layer_lines_R: __gnu_cxx::__normal_iterator<utility::vector1<double, std::allocator<double> >*, std::vector<utility::vector1<double, std::allocator<double> >, std::allocator<utility::vector1<double, std::allocator<double> > > > >, sampling_points_l: __gnu_cxx::__normal_iterator<unsigned long*, std::vector<unsigned long, std::allocator<unsigned long> > >, shanon_points_lS: __gnu_cxx::__normal_iterator<utility::vector1<double, std::allocator<double> >*, std::vector<utility::vector1<double, std::allocator<double> >, std::allocator<utility::vector1<double, std::allocator<double> > > > >, lowest_bessel_orders_l: __gnu_cxx::__normal_iterator<unsigned long*, std::vector<unsigned long, std::allocator<unsigned long> > >, nvals: __gnu_cxx::__normal_iterator<utility::vector0<int, std::allocator<int> >*, std::vector<utility::vector0<int, std::allocator<int> >, std::allocator<utility::vector0<int, std::allocator<int> > > > >) → None

C++: core::scoring::fiber_diffraction::generate_shannon_points(const unsigned long &, const double &, const class __gnu_cxx::__normal_iterator<class utility::vector1<double, class std::allocator<double> > *, class std::vector<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > &, class __gnu_cxx::__normal_iterator<unsigned long *, class std::vector<unsigned long, class std::allocator<unsigned long> > > &, class __gnu_cxx::__normal_iterator<class utility::vector1<double, class std::allocator<double> > *, class std::vector<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > &, class __gnu_cxx::__normal_iterator<unsigned long *, class std::vector<unsigned long, class std::allocator<unsigned long> > > &, const class __gnu_cxx::__normal_iterator<class utility::vector0<int, class std::allocator<int> > *, class std::vector<class utility::vector0<int, class std::allocator<int> >, class std::allocator<class utility::vector0<int, class std::allocator<int> > > > > &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.getFiberDiffractionData(*args, **kwargs)

Overloaded function.

1. getFiberDiffractionData() -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
2. getFiberDiffractionData(c: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
3. getFiberDiffractionData(c: float, res_cutoff_high: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
4. getFiberDiffractionData(c: float, res_cutoff_high: float, res_cutoff_low: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
5. getFiberDiffractionData(c: float, res_cutoff_high: float, res_cutoff_low: float, force_reload: bool) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction

The EDM instance

C++: core::scoring::fiber_diffraction::getFiberDiffractionData(double, double, double, bool) –> class core::scoring::fiber_diffraction::FiberDiffraction &

pyrosetta.rosetta.core.scoring.fiber_diffraction.getFiberDiffractionData_legacy(*args, **kwargs)

Overloaded function.

1. getFiberDiffractionData_legacy() -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
2. getFiberDiffractionData_legacy(c: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
3. getFiberDiffractionData_legacy(c: float, res_cutoff_high: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
4. getFiberDiffractionData_legacy(c: float, res_cutoff_high: float, res_cutoff_low: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
5. getFiberDiffractionData_legacy(c: float, res_cutoff_high: float, res_cutoff_low: float, force_reload: bool) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction

The EDM instance

C++: core::scoring::fiber_diffraction::getFiberDiffractionData_legacy(double, double, double, bool) –> class core::scoring::fiber_diffraction::FiberDiffraction &

pyrosetta.rosetta.core.scoring.fiber_diffraction.get_A(elt: str) → pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering

C++: core::scoring::fiber_diffraction::get_A(class std::basic_string<char>) –> class core::scoring::fiber_diffraction::OneGaussianScattering

pyrosetta.rosetta.core.scoring.fiber_diffraction.get_km(elt: str) → pyrosetta.rosetta.core.scoring.fiber_diffraction.KromerMann

C++: core::scoring::fiber_diffraction::get_km(class std::basic_string<char>) –> class core::scoring::fiber_diffraction::KromerMann

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_free(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → None

C++: core::scoring::fiber_diffraction::hankel_free(struct core::scoring::fiber_diffraction::Hankel *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_get_p0(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → float

C++: core::scoring::fiber_diffraction::hankel_get_p0(struct core::scoring::fiber_diffraction::Hankel *) –> double

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_get_rc(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → float

C++: core::scoring::fiber_diffraction::hankel_get_rc(struct core::scoring::fiber_diffraction::Hankel *) –> double

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_in_machine(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → None

C++: core::scoring::fiber_diffraction::hankel_in_machine(struct core::scoring::fiber_diffraction::Hankel *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_make_j(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → None

C++: core::scoring::fiber_diffraction::hankel_make_j(struct core::scoring::fiber_diffraction::Hankel *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_make_rp(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → None

C++: core::scoring::fiber_diffraction::hankel_make_rp(struct core::scoring::fiber_diffraction::Hankel *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_make_snn(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → None

C++: core::scoring::fiber_diffraction::hankel_make_snn(struct core::scoring::fiber_diffraction::Hankel *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_r_div(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → None

C++: core::scoring::fiber_diffraction::hankel_r_div(struct core::scoring::fiber_diffraction::Hankel *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_r_mult(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → None

C++: core::scoring::fiber_diffraction::hankel_r_mult(struct core::scoring::fiber_diffraction::Hankel *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_set_alpha(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → None

C++: core::scoring::fiber_diffraction::hankel_set_alpha(struct core::scoring::fiber_diffraction::Hankel *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.hankel_trans_no_lec(p_hankel: pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel) → None

C++: core::scoring::fiber_diffraction::hankel_trans_no_lec(struct core::scoring::fiber_diffraction::Hankel *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.isPowerOfTwo(n: int) → bool

C++: core::scoring::fiber_diffraction::isPowerOfTwo(int) –> bool

pyrosetta.rosetta.core.scoring.fiber_diffraction.retrieve_centroid_scatter_from_pose(pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.core.scoring.fiber_diffraction.CentroidScatter

C++: core::scoring::fiber_diffraction::retrieve_centroid_scatter_from_pose(class core::pose::Pose &) –> class core::scoring::fiber_diffraction::CentroidScatter &

pyrosetta.rosetta.core.scoring.fiber_diffraction.retrieve_fa_scatter_from_pose(pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.core.scoring.fiber_diffraction.FAScatter

C++: core::scoring::fiber_diffraction::retrieve_fa_scatter_from_pose(class core::pose::Pose &) –> class core::scoring::fiber_diffraction::FAScatter &

pyrosetta.rosetta.core.scoring.fiber_diffraction.rootj(N: int, CUTOFF: float, zeroj: pyrosetta.rosetta.utility.vector1_double, npoints: int) → None

C++: core::scoring::fiber_diffraction::rootj(const int &, const double &, class utility::vector1<double, class std::allocator<double> > &, unsigned long &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.secant(N: int, NITMX: int, TOL: float, ZEROJ: float, IER: int) → None

C++: core::scoring::fiber_diffraction::secant(const int &, const int &, double, double *, int *) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.set_r_array(num_r_points: int, k1: float, k2: float, max_r: float, rc: ObjexxFCL::FArray1D<float>) → None

C++: core::scoring::fiber_diffraction::set_r_array(unsigned long, double, double, double, class ObjexxFCL::FArray1D<float> &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.set_r_inv_array(num_r_points: int, k1: float, k2: float, max_r: float, Rinv: ObjexxFCL::FArray1D<float>) → None

C++: core::scoring::fiber_diffraction::set_r_inv_array(unsigned long, double, double, double, class ObjexxFCL::FArray1D<float> &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.setup_centroid_scatter(pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector1_core_scoring_fiber_diffraction_OneGaussianScattering

C++: core::scoring::fiber_diffraction::setup_centroid_scatter(class core::pose::Pose &) –> class utility::vector1<class core::scoring::fiber_diffraction::OneGaussianScattering, class std::allocator<class core::scoring::fiber_diffraction::OneGaussianScattering> >

pyrosetta.rosetta.core.scoring.fiber_diffraction.setup_cylindrical_coords(pose: pyrosetta.rosetta.core.pose.Pose, natoms: int, atom_type_number: pyrosetta.rosetta.utility.vector1_unsigned_long, AtomID_to_atomnbr: pyrosetta.rosetta.std.map_core_id_AtomID_unsigned_long, phi: pyrosetta.rosetta.utility.vector1_double, z: pyrosetta.rosetta.utility.vector1_double, r: pyrosetta.rosetta.utility.vector1_double, bfactor: pyrosetta.rosetta.utility.vector1_double) → None

C++: core::scoring::fiber_diffraction::setup_cylindrical_coords(const class core::pose::Pose &, unsigned long &, class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, class std::map<class core::id::AtomID, unsigned long, struct std::less<class core::id::AtomID>, class std::allocator<struct std::pair<const class core::id::AtomID, unsigned long> > > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void

pyrosetta.rosetta.core.scoring.fiber_diffraction.setup_form_factors(pose: pyrosetta.rosetta.core.pose.Pose, lmax: int, layer_lines_R: __gnu_cxx::__normal_iterator<utility::vector1<double, std::allocator<double> >*, std::vector<utility::vector1<double, std::allocator<double> >, std::allocator<utility::vector1<double, std::allocator<double> > > > >, c: float, B_factor: float, B_factor_solv: float, Ksolv: float) → pyrosetta.rosetta.utility.vector0_utility_vector1_utility_vector1_double_std_allocator_double_std_allocator_utility_vector1_double_std_allocator_double_t

C++: core::scoring::fiber_diffraction::setup_form_factors(class core::pose::Pose &, const unsigned long &, const class __gnu_cxx::__normal_iterator<class utility::vector1<double, class std::allocator<double> > *, class std::vector<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > &, const double &, const double &, const double &, const double &) –> class utility::vector0<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > >, class std::allocator<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > >