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() const RDKit::ChemicalReactioninline
beginAgentTemplates()RDKit::ChemicalReactioninline
beginProductTemplates() const RDKit::ChemicalReactioninline
beginProductTemplates()RDKit::ChemicalReactioninline
beginReactantTemplates() const RDKit::ChemicalReactioninline
beginReactantTemplates()RDKit::ChemicalReactioninline
ChemicalReaction()RDKit::ChemicalReactioninline
ChemicalReaction(const ChemicalReaction &other)RDKit::ChemicalReactioninline
ChemicalReaction(const std::string &binStr)RDKit::ChemicalReaction
endAgentTemplates() const RDKit::ChemicalReactioninline
endAgentTemplates()RDKit::ChemicalReactioninline
endProductTemplates() const RDKit::ChemicalReactioninline
endProductTemplates()RDKit::ChemicalReactioninline
endReactantTemplates() const RDKit::ChemicalReactioninline
endReactantTemplates()RDKit::ChemicalReactioninline
getAgents() const RDKit::ChemicalReactioninline
getImplicitPropertiesFlag() const RDKit::ChemicalReactioninline
getNumAgentTemplates() const RDKit::ChemicalReactioninline
getNumProductTemplates() const RDKit::ChemicalReactioninline
getNumReactantTemplates() const RDKit::ChemicalReactioninline
getProducts() const RDKit::ChemicalReactioninline
getReactants() const RDKit::ChemicalReactioninline
initReactantMatchers()RDKit::ChemicalReaction
isInitialized() const RDKit::ChemicalReactioninline
ReactionPickler classRDKit::ChemicalReactionfriend
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
runReactants(const MOL_SPTR_VECT reactants) const RDKit::ChemicalReaction
setImplicitPropertiesFlag(bool val)RDKit::ChemicalReactioninline
validate(unsigned int &numWarnings, unsigned int &numErrors, bool silent=false) const RDKit::ChemicalReaction