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

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.

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

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