RDKit
Open-source cheminformatics and machine learning.
RDKit::ChemicalReaction Member List

This is the complete list of members for RDKit::ChemicalReaction, including all inherited members.

addAgentTemplate(ROMOL_SPTR mol)RDKit::ChemicalReactioninline
addProductTemplate(ROMOL_SPTR mol)RDKit::ChemicalReactioninline
addReactantTemplate(ROMOL_SPTR mol)RDKit::ChemicalReactioninline
beginAgentTemplates() constRDKit::ChemicalReactioninline
beginAgentTemplates()RDKit::ChemicalReactioninline
beginProductTemplates() constRDKit::ChemicalReactioninline
beginProductTemplates()RDKit::ChemicalReactioninline
beginReactantTemplates() constRDKit::ChemicalReactioninline
beginReactantTemplates()RDKit::ChemicalReactioninline
ChemicalReaction()RDKit::ChemicalReactioninline
ChemicalReaction(const ChemicalReaction &other)RDKit::ChemicalReactioninline
ChemicalReaction(const std::string &binStr)RDKit::ChemicalReaction
endAgentTemplates() constRDKit::ChemicalReactioninline
endAgentTemplates()RDKit::ChemicalReactioninline
endProductTemplates() constRDKit::ChemicalReactioninline
endProductTemplates()RDKit::ChemicalReactioninline
endReactantTemplates() constRDKit::ChemicalReactioninline
endReactantTemplates()RDKit::ChemicalReactioninline
getAgents() constRDKit::ChemicalReactioninline
getImplicitPropertiesFlag() constRDKit::ChemicalReactioninline
getNumAgentTemplates() constRDKit::ChemicalReactioninline
getNumProductTemplates() constRDKit::ChemicalReactioninline
getNumReactantTemplates() constRDKit::ChemicalReactioninline
getProducts() constRDKit::ChemicalReactioninline
getReactants() constRDKit::ChemicalReactioninline
initReactantMatchers()RDKit::ChemicalReaction
isInitialized() constRDKit::ChemicalReactioninline
ReactionPickler classRDKit::ChemicalReactionfriend
removeAgentTemplates(MOL_SPTR_VECT *targetVector=NULL)RDKit::ChemicalReaction
removeUnmappedProductTemplates(double thresholdUnmappedAtoms=0.2, bool moveToAgentTemplates=true, MOL_SPTR_VECT *targetVector=NULL)RDKit::ChemicalReaction
removeUnmappedReactantTemplates(double thresholdUnmappedAtoms=0.2, bool moveToAgentTemplates=true, MOL_SPTR_VECT *targetVector=NULL)RDKit::ChemicalReaction
runReactant(ROMOL_SPTR reactant, unsigned int reactantTemplateIdx) constRDKit::ChemicalReaction
runReactants(const MOL_SPTR_VECT reactants) constRDKit::ChemicalReaction
setImplicitPropertiesFlag(bool val)RDKit::ChemicalReactioninline
validate(unsigned int &numWarnings, unsigned int &numErrors, bool silent=false) constRDKit::ChemicalReaction