pcs2¶

Bindings for protocols::scoring::methods::pcs2 namespace

class pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputCenter¶

Bases: pybind11_builtins.pybind11_object

PcsInputCenter contain all the input information for one paramagnetic center. It can contain multiple data set

__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.

__init__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputCenter) -> None
__init__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputCenter, arg0: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputCenter) -> None
__init__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputCenter, filenames: pyrosetta.rosetta.utility.vector1_std_string, weight: pyrosetta.rosetta.utility.vector1_double) -> 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__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputCenter) → str¶

__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.protocols.scoring.methods.pcs2.PcsInputCenter, other: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputCenter) → pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputCenter¶: C++: protocols::scoring::methods::pcs2::PcsInputCenter::operator=(const class protocols::scoring::methods::pcs2::PcsInputCenter &) –> class protocols::scoring::methods::pcs2::PcsInputCenter &

get_PcsInputFile_all(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputCenter) → pyrosetta.rosetta.std.map_std_string_protocols_scoring_methods_pcs2_PcsInputFile¶

Give me all PcsInputFile

C++: protocols::scoring::methods::pcs2::PcsInputCenter::get_PcsInputFile_all() –> class std::map<std::string, class protocols::scoring::methods::pcs2::PcsInputFile, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, class protocols::scoring::methods::pcs2::PcsInputFile> > > &

class pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile¶

Bases: pybind11_builtins.pybind11_object

PcsInputFile contain all the information of a .npc file one per lanthanide.

__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.

__init__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile) -> None
__init__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile, arg0: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile) -> None
__init__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile, filename: str, my_weight: 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__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile) → str¶

__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.protocols.scoring.methods.pcs2.PcsInputFile, other: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile) → pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile¶: C++: protocols::scoring::methods::pcs2::PcsInputFile::operator=(const class protocols::scoring::methods::pcs2::PcsInputFile &) –> class protocols::scoring::methods::pcs2::PcsInputFile &

get_PcsInputLine_all(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile) → pyrosetta.rosetta.utility.vector1_protocols_scoring_methods_pcs2_PcsInputLine¶

Give me the vector of all the line of the file

C++: protocols::scoring::methods::pcs2::PcsInputFile::get_PcsInputLine_all() –> class utility::vector1<class protocols::scoring::methods::pcs2::PcsInputLine, class std::allocator<class protocols::scoring::methods::pcs2::PcsInputLine> > &

get_filename(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile) → str¶

Give me the name of the file

C++: protocols::scoring::methods::pcs2::PcsInputFile::get_filename() const –> std::string

get_weight(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputFile) → float¶

Give me the weight associated

C++: protocols::scoring::methods::pcs2::PcsInputFile::get_weight() const –> double

class pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine¶

Bases: pybind11_builtins.pybind11_object

PcsInputLine class: hold a line of the input file information (.npc format) One PcsInputLine per line in the input file

__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.

__init__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine) -> None
__init__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine, arg0: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine) -> None
__init__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine, residue_num: int, atom_name: str, PCS_experimental: float, PCS_tolerance: 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__(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine) → str¶

__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.protocols.scoring.methods.pcs2.PcsInputLine, other: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine) → pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine¶: C++: protocols::scoring::methods::pcs2::PcsInputLine::operator=(const class protocols::scoring::methods::pcs2::PcsInputLine &) –> class protocols::scoring::methods::pcs2::PcsInputLine &

get_PCS_experimental(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine) → float¶

Give me the experimental PCS of this PcsInputLine

C++: protocols::scoring::methods::pcs2::PcsInputLine::get_PCS_experimental() const –> double

get_PCS_tolerance(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine) → float¶

Give me the tolerance for the PCS of this PcsInputLine

C++: protocols::scoring::methods::pcs2::PcsInputLine::get_PCS_tolerance() const –> double

get_atom_name(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine) → str¶

Give me the atom name of this PcsInputLine

C++: protocols::scoring::methods::pcs2::PcsInputLine::get_atom_name() const –> std::string

get_residue_num(self: pyrosetta.rosetta.protocols.scoring.methods.pcs2.PcsInputLine) → int¶

Give me the residue number of this PcsInputLine

C++: protocols::scoring::methods::pcs2::PcsInputLine::get_residue_num() const –> unsigned long

pyrosetta.rosetta.protocols.scoring.methods.pcs2.do_I_skip(pcs_i_l: protocols::scoring::methods::pcs2::PcsInputLine, start: int, end: int) → bool¶: C++: protocols::scoring::methods::pcs2::do_I_skip(class protocols::scoring::methods::pcs2::PcsInputLine &, unsigned long, unsigned long) –> bool

pyrosetta.rosetta.protocols.scoring.methods.pcs2.fill_A_line_fast(A_line: pyrosetta.rosetta.utility.vector1_double, xM: float, yM: float, zM: float, x: float, y: float, z: float) → float¶: C++: protocols::scoring::methods::pcs2::fill_A_line_fast(class utility::vector1<double, class std::allocator<double> > &, const double, const double, const double, const double, const double, const double) –> double

pyrosetta.rosetta.protocols.scoring.methods.pcs2.fill_A_line_slow(A_line: pyrosetta.rosetta.utility.vector1_double, xM: float, yM: float, zM: float, x: float, y: float, z: float) → None¶: C++: protocols::scoring::methods::pcs2::fill_A_line_slow(class utility::vector1<double, class std::allocator<double> > &, const double, const double, const double, const double, const double, const double) –> void