modifications¶

Bindings for core::chemical::modifications namespace

class pyrosetta.rosetta.core.chemical.modifications.ChemistryBase¶

Bases: pybind11_object

apply(self: pyrosetta.rosetta.core.chemical.modifications.ChemistryBase, : pyrosetta.rosetta.core.chemical.MutableResidueType) → None¶

Modify the passed ResidueType

C++: core::chemical::modifications::ChemistryBase::apply(class core::chemical::MutableResidueType &) –> void

assign(self: pyrosetta.rosetta.core.chemical.modifications.ChemistryBase, : pyrosetta.rosetta.core.chemical.modifications.ChemistryBase) → pyrosetta.rosetta.core.chemical.modifications.ChemistryBase¶: C++: core::chemical::modifications::ChemistryBase::operator=(const class core::chemical::modifications::ChemistryBase &) –> class core::chemical::modifications::ChemistryBase &

Get additional generated ResidueTypes, if any.: This allows for 1-to-many Chemistries

C++: core::chemical::modifications::ChemistryBase::get_additional_output() –> class std::shared_ptr<class core::chemical::MutableResidueType>

What was the status of the last call to apply()/get_additional_output()

C++: core::chemical::modifications::ChemistryBase::get_last_status() const –> enum core::chemical::modifications::ChemistryStatus

Get the vertex mapping that was used for the last apply() or get_additional_output(): This is a mapping FROM the vds in the BEFORE MutableResidueType TO the vds in the AFTER MutableResidueType. The base class implementation defaults to an identity mapping.

C++: core::chemical::modifications::ChemistryBase::get_mapping() const –> class core::chemical::AtomRefMapping<void *, void *>

Are there alternate ResidueTypes which are availible from the last time we called apply?: (That is, will get_addtional_output() return non-null?)

C++: core::chemical::modifications::ChemistryBase::has_additional_output() const –> bool

Return the name of this Chemistry object

C++: core::chemical::modifications::ChemistryBase::name() const –> std::string

Set the status of the chemistry object

C++: core::chemical::modifications::ChemistryBase::set_last_status(enum core::chemical::modifications::ChemistryStatus) –> void

class pyrosetta.rosetta.core.chemical.modifications.ChemistryStatus¶

Bases: pybind11_object

What was the status of the last call to apply (or get_additional_output)

Members:

SUCCESS

FAIL_RETRY

FAIL_DO_NOT_RETRY

FAIL_BAD_INPUT

FAIL_BAD_SETTINGS