protocols::chemistries::ChemistryCreator Class Reference

#include <ChemistryCreator.hh>

Inheritance diagram for protocols::chemistries::ChemistryCreator:

Public Member Functions
virtual ChemistryOP	create_chemistry () const =0
virtual std::string	keyname () const =0
virtual void	provide_xml_schema (utility::tag::XMLSchemaDefinition &) const =0
	Define the structure of the XML file for the Chemistry that this ChemistryCreator instantiates using the XML Schema language. More...

Member Function Documentation

create_chemistry()

virtual ChemistryOP protocols::chemistries::ChemistryCreator::create_chemistry ( ) const

pure virtual

Implemented in protocols::rotamer_gen::RDKitRotamersCreator, protocols::rotamer_gen::FragmentRotamersCreator, protocols::drug_design::SubstructureReplaceCreator, protocols::drug_design::SubstituentReplaceCreator, protocols::drug_design::ReactionMultiTransformCreator, protocols::drug_design::ReactionGrowCreator, protocols::drug_design::ReactionFragmentCreator, protocols::drug_design::ReactionBasedAnalogSamplerCreator, protocols::drug_design::RandomFragmentLigandCreator, protocols::chemistries::PatchChemistryCreator, and protocols::chemistries::ReprotonateCreator.

keyname()

virtual std::string protocols::chemistries::ChemistryCreator::keyname ( ) const

pure virtual

Implemented in protocols::rotamer_gen::RDKitRotamersCreator, protocols::rotamer_gen::FragmentRotamersCreator, protocols::drug_design::SubstructureReplaceCreator, protocols::drug_design::SubstituentReplaceCreator, protocols::drug_design::ReactionMultiTransformCreator, protocols::drug_design::ReactionGrowCreator, protocols::drug_design::ReactionFragmentCreator, protocols::drug_design::ReactionBasedAnalogSamplerCreator, protocols::drug_design::RandomFragmentLigandCreator, protocols::chemistries::PatchChemistryCreator, and protocols::chemistries::ReprotonateCreator.

provide_xml_schema()

virtual void protocols::chemistries::ChemistryCreator::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  ) const

pure virtual

Define the structure of the XML file for the Chemistry that this ChemistryCreator instantiates using the XML Schema language.

Implemented in protocols::rotamer_gen::RDKitRotamersCreator, protocols::rotamer_gen::FragmentRotamersCreator, protocols::drug_design::SubstructureReplaceCreator, protocols::drug_design::SubstituentReplaceCreator, protocols::drug_design::ReactionMultiTransformCreator, protocols::drug_design::ReactionGrowCreator, protocols::drug_design::ReactionFragmentCreator, protocols::drug_design::ReactionBasedAnalogSamplerCreator, protocols::drug_design::RandomFragmentLigandCreator, protocols::chemistries::PatchChemistryCreator, and protocols::chemistries::ReprotonateCreator.

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The documentation for this class was generated from the following file:

• src/protocols/chemistries/ChemistryCreator.hh