PositionDdGInfo

Bindings for core::io::PositionDdGInfo namespace

class pyrosetta.rosetta.core.io.PositionDdGInfo.PositionDdGInfo

Bases: pybind11_object

small helper class that stores the ddGs for mutations at a given position. camel case gets weird when trying to write words containing ddG…

add_mutation_ddG(self: pyrosetta.rosetta.core.io.PositionDdGInfo.PositionDdGInfo, aa: pyrosetta.rosetta.core.chemical.AA, ddG: float) → None

C++: core::io::PositionDdGInfo::PositionDdGInfo::add_mutation_ddG(enum core::chemical::AA, double) –> void

assign(self: pyrosetta.rosetta.core.io.PositionDdGInfo.PositionDdGInfo, : pyrosetta.rosetta.core.io.PositionDdGInfo.PositionDdGInfo) → pyrosetta.rosetta.core.io.PositionDdGInfo.PositionDdGInfo

C++: core::io::PositionDdGInfo::PositionDdGInfo::operator=(const class core::io::PositionDdGInfo::PositionDdGInfo &) –> class core::io::PositionDdGInfo::PositionDdGInfo &

mutation_ddGs(self: pyrosetta.rosetta.core.io.PositionDdGInfo.PositionDdGInfo) → pyrosetta.rosetta.std.map_core_chemical_AA_double

C++: core::io::PositionDdGInfo::PositionDdGInfo::mutation_ddGs() const –> const class std::map<enum core::chemical::AA, double, struct std::less<enum core::chemical::AA>, class std::allocator<struct std::pair<const enum core::chemical::AA, double> > > &

seqpos(self: pyrosetta.rosetta.core.io.PositionDdGInfo.PositionDdGInfo) → int

C++: core::io::PositionDdGInfo::PositionDdGInfo::seqpos() const –> unsigned long

wt_aa(self: pyrosetta.rosetta.core.io.PositionDdGInfo.PositionDdGInfo) → pyrosetta.rosetta.core.chemical.AA

C++: core::io::PositionDdGInfo::PositionDdGInfo::wt_aa() const –> enum core::chemical::AA

pyrosetta.rosetta.core.io.PositionDdGInfo.read_ddg_predictions_file(filename: str) → pyrosetta.rosetta.std.map_unsigned_long_std_shared_ptr_core_io_PositionDdGInfo_PositionDdGInfo_t_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_core_io_PositionDdGInfo_PositionDdGInfo_t

function that reads in a ddg predictions out file

and returns the info in it as a map of PositionDdGInfo

C++: core::io::PositionDdGInfo::read_ddg_predictions_file(std::string) –> const class std::map<unsigned long, class std::shared_ptr<class core::io::PositionDdGInfo::PositionDdGInfo>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<class core::io::PositionDdGInfo::PositionDdGInfo> > > >