fiber_diffraction¶

Bindings for core::scoring::fiber_diffraction namespace

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

Bases: CacheableData

silly vector1 wrapper class so we can derive from PoseCachedData

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: CacheableData

silly vector1 wrapper class so we can derive from PoseCachedData

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.FiberDiffraction¶

Bases: pybind11_object

assign(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction, : pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction) → pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction¶: C++: core::scoring::fiber_diffraction::FiberDiffraction::operator=(const class core::scoring::fiber_diffraction::FiberDiffraction &) –> class core::scoring::fiber_diffraction::FiberDiffraction &

init(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction) → None¶

Initialize map from cmd line options

C++: core::scoring::fiber_diffraction::FiberDiffraction::init() –> void

isFiberDataLoaded(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction) → bool¶: C++: core::scoring::fiber_diffraction::FiberDiffraction::isFiberDataLoaded() const –> bool

loadFiberDiffractionData(*args, **kwargs)¶

Overloaded function.

loadFiberDiffractionData(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction, layer_lines: str, c: float, res_cutoff_high: float, res_cutoff_low: float) -> bool

Load fiber diffraction layer lines

C++: core::scoring::fiber_diffraction::FiberDiffraction::loadFiberDiffractionData(std::string, const double &, const double &, const double &) –> bool

loadFiberDiffractionData(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction, input: pyrosetta.rosetta.std.istream, layer_lines: str, c: float, res_cutoff_high: float, res_cutoff_low: float) -> bool

C++: core::scoring::fiber_diffraction::FiberDiffraction::loadFiberDiffractionData(std::istream &, std::string, const double &, const double &, const double &) –> bool

setupBesselOrder(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction) → bool¶: C++: core::scoring::fiber_diffraction::FiberDiffraction::setupBesselOrder() –> bool

trimFiberDiffractionData(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction, c: float, res_cutoff_high: float, res_cutoff_low: float) → bool¶

Load fiber diffraction layer lines

C++: core::scoring::fiber_diffraction::FiberDiffraction::trimFiberDiffractionData(const double &, const double &, const double &) –> bool

class pyrosetta.rosetta.core.scoring.fiber_diffraction.Hankel¶

Bases: pybind11_object

property alpha¶

property k1¶

property k2¶

property l¶

property lec_order¶

property n¶

property rp0¶

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

Bases: pybind11_object

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_object

C(self: pyrosetta.rosetta.core.scoring.fiber_diffraction.OneGaussianScattering, k: float) → float¶: C++: core::scoring::fiber_diffraction::OneGaussianScattering::C(double) const –> double

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.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 *, const double *) –> void

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 std::string &, 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: std::complex<double>) → 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.getFiberDiffractionData(*args, **kwargs)¶

Overloaded function.

getFiberDiffractionData() -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
getFiberDiffractionData(c: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
getFiberDiffractionData(c: float, res_cutoff_high: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
getFiberDiffractionData(c: float, res_cutoff_high: float, res_cutoff_low: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
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.

getFiberDiffractionData_legacy() -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
getFiberDiffractionData_legacy(c: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
getFiberDiffractionData_legacy(c: float, res_cutoff_high: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
getFiberDiffractionData_legacy(c: float, res_cutoff_high: float, res_cutoff_low: float) -> pyrosetta.rosetta.core.scoring.fiber_diffraction.FiberDiffraction
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(std::string) –> 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(std::string) –> 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: pyrosetta.rosetta.ObjexxFCL.FArray1D_float_t) → 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: pyrosetta.rosetta.ObjexxFCL.FArray1D_float_t) → 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