saxs

Bindings for core::scoring::saxs namespace

class pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram

Bases: pybind11_object

assign(self: pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram, : pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram) → pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram

C++: core::scoring::saxs::DistanceHistogram::operator=(const class core::scoring::saxs::DistanceHistogram &) –> class core::scoring::saxs::DistanceHistogram &

distance(self: pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram, bin: int) → float

tells waht distance falls into a certain bin

C++: core::scoring::saxs::DistanceHistogram::distance(unsigned long) const –> double

get(*args, **kwargs)

Overloaded function.

1. get(self: pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram, distance: float) -> int

Returns the number of counts for a given distance

C++: core::scoring::saxs::DistanceHistogram::get(double) const –> unsigned long

2. get(self: pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram, bin: int) -> int

Returns the number of counts for a given bin

C++: core::scoring::saxs::DistanceHistogram::get(unsigned long) const –> unsigned long

insert(self: pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram, distance: float) → None

Adds a distance observation to the histogram

C++: core::scoring::saxs::DistanceHistogram::insert(double) –> void

last_nonempty_bin(self: pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram) → int

C++: core::scoring::saxs::DistanceHistogram::last_nonempty_bin() const –> unsigned long

size(self: pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram) → int

Returns the size of this histogram

C++: core::scoring::saxs::DistanceHistogram::size() –> unsigned long

total(self: pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram) → int

Returns the total number of counts in this histogram

C++: core::scoring::saxs::DistanceHistogram::total() const –> unsigned long

zeros(self: pyrosetta.rosetta.core.scoring.saxs.DistanceHistogram) → None

Clears this histogram by filling each cell with 0.0

C++: core::scoring::saxs::DistanceHistogram::zeros() –> void

class pyrosetta.rosetta.core.scoring.saxs.FormFactor

Bases: pybind11_object

assign(self: pyrosetta.rosetta.core.scoring.saxs.FormFactor, : pyrosetta.rosetta.core.scoring.saxs.FormFactor) → pyrosetta.rosetta.core.scoring.saxs.FormFactor

C++: core::scoring::saxs::FormFactor::operator=(const class core::scoring::saxs::FormFactor &) –> class core::scoring::saxs::FormFactor &

ff(self: pyrosetta.rosetta.core.scoring.saxs.FormFactor, q: float) → float

evaluates an atomic form factor for a given scattering angle (defined in 1/A)

C++: core::scoring::saxs::FormFactor::ff(double) const –> double

get(self: pyrosetta.rosetta.core.scoring.saxs.FormFactor, q_index: int) → float

Returns tabulated ff-value (computed for i-th value of q-argument)

C++: core::scoring::saxs::FormFactor::get(unsigned long) –> double

property id_

is_glob(*args, **kwargs)

Overloaded function.

1. is_glob(self: pyrosetta.rosetta.core.scoring.saxs.FormFactor, flag: bool) -> None

C++: core::scoring::saxs::FormFactor::is_glob(bool) –> void

2. is_glob(self: pyrosetta.rosetta.core.scoring.saxs.FormFactor) -> bool

C++: core::scoring::saxs::FormFactor::is_glob() const –> bool

name(self: pyrosetta.rosetta.core.scoring.saxs.FormFactor) → str

C++: core::scoring::saxs::FormFactor::name() –> std::string &

tabulate(self: pyrosetta.rosetta.core.scoring.saxs.FormFactor, q: pyrosetta.rosetta.utility.vector1_double) → None

C++: core::scoring::saxs::FormFactor::tabulate(const class utility::vector1<double, class std::allocator<double> > &) –> void

class pyrosetta.rosetta.core.scoring.saxs.FormFactorManager

Bases: pybind11_object

selects a given number of fragments using a quota scheme

count_ff(self: pyrosetta.rosetta.core.scoring.saxs.FormFactorManager) → int

returns the number of form factors registered in this manager

C++: core::scoring::saxs::FormFactorManager::count_ff() –> unsigned long

get_atom_index(self: pyrosetta.rosetta.core.scoring.saxs.FormFactorManager, atom_name: str) → int

returns an index of an atom type or 0 if teh atom is not registered

C++: core::scoring::saxs::FormFactorManager::get_atom_index(std::string) –> unsigned long

get_ff(*args, **kwargs)

Overloaded function.

1. get_ff(self: pyrosetta.rosetta.core.scoring.saxs.FormFactorManager, atom_id: int) -> pyrosetta.rosetta.core.scoring.saxs.FormFactor

returns form factor function for a given atom index

C++: core::scoring::saxs::FormFactorManager::get_ff(unsigned long) –> class std::shared_ptr<class core::scoring::saxs::FormFactor>

2. get_ff(self: pyrosetta.rosetta.core.scoring.saxs.FormFactorManager, atom_name: str) -> pyrosetta.rosetta.core.scoring.saxs.FormFactor

returns form factor function for a given atom

C++: core::scoring::saxs::FormFactorManager::get_ff(std::string) –> class std::shared_ptr<class core::scoring::saxs::FormFactor>

get_known_atoms(self: pyrosetta.rosetta.core.scoring.saxs.FormFactorManager) → pyrosetta.rosetta.utility.vector1_std_string

returns a vector of know atom names

C++: core::scoring::saxs::FormFactorManager::get_known_atoms() –> class utility::vector1<std::string, class std::allocator<std::string > >

static get_manager() → pyrosetta.rosetta.core.scoring.saxs.FormFactorManager

return singleton of the manager

C++: core::scoring::saxs::FormFactorManager::get_manager() –> class core::scoring::saxs::FormFactorManager *

is_known_atom(self: pyrosetta.rosetta.core.scoring.saxs.FormFactorManager, atom_name: str) → bool

returns true if the manager has form factor function for a given atom

C++: core::scoring::saxs::FormFactorManager::is_known_atom(std::string) –> bool

load_ff(self: pyrosetta.rosetta.core.scoring.saxs.FormFactorManager, config_file: str) → None

C++: core::scoring::saxs::FormFactorManager::load_ff(std::string) –> void

load_ff_from_db(self: pyrosetta.rosetta.core.scoring.saxs.FormFactorManager, file_name: str) → None

C++: core::scoring::saxs::FormFactorManager::load_ff_from_db(std::string) –> void

register_ff(self: pyrosetta.rosetta.core.scoring.saxs.FormFactorManager, atom_name: str, new_ff: pyrosetta.rosetta.core.scoring.saxs.FormFactor) → None

C++: core::scoring::saxs::FormFactorManager::register_ff(std::string, class std::shared_ptr<class core::scoring::saxs::FormFactor>) –> void

tabulate(self: pyrosetta.rosetta.core.scoring.saxs.FormFactorManager, q: pyrosetta.rosetta.utility.vector1_double) → None

asks all the registered form factors to tabulate their values for the new vector of q-arguments

C++: core::scoring::saxs::FormFactorManager::tabulate(const class utility::vector1<double, class std::allocator<double> > &) –> void

class pyrosetta.rosetta.core.scoring.saxs.SinXOverX

Bases: SingletonBase_core_scoring_saxs_SinXOverX_t

evaluate(self: pyrosetta.rosetta.core.scoring.saxs.SinXOverX, x: float) → float

C++: core::scoring::saxs::SinXOverX::evaluate(double) const –> double

static get_instance() → core::scoring::saxs::SinXOverX

C++: utility::SingletonBase<core::scoring::saxs::SinXOverX>::get_instance() –> class core::scoring::saxs::SinXOverX *