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RDKit::ChemicalReaction Member List
This is the complete list of members for
RDKit::ChemicalReaction
, including all inherited members.
addAgentTemplate
(ROMOL_SPTR mol)
RDKit::ChemicalReaction
inline
addProductTemplate
(ROMOL_SPTR mol)
RDKit::ChemicalReaction
inline
addReactantTemplate
(ROMOL_SPTR mol)
RDKit::ChemicalReaction
inline
beginAgentTemplates
() const
RDKit::ChemicalReaction
inline
beginAgentTemplates
()
RDKit::ChemicalReaction
inline
beginProductTemplates
() const
RDKit::ChemicalReaction
inline
beginProductTemplates
()
RDKit::ChemicalReaction
inline
beginReactantTemplates
() const
RDKit::ChemicalReaction
inline
beginReactantTemplates
()
RDKit::ChemicalReaction
inline
ChemicalReaction
()
RDKit::ChemicalReaction
inline
ChemicalReaction
(const ChemicalReaction &other)
RDKit::ChemicalReaction
inline
ChemicalReaction
(const std::string &binStr)
RDKit::ChemicalReaction
endAgentTemplates
() const
RDKit::ChemicalReaction
inline
endAgentTemplates
()
RDKit::ChemicalReaction
inline
endProductTemplates
() const
RDKit::ChemicalReaction
inline
endProductTemplates
()
RDKit::ChemicalReaction
inline
endReactantTemplates
() const
RDKit::ChemicalReaction
inline
endReactantTemplates
()
RDKit::ChemicalReaction
inline
getAgents
() const
RDKit::ChemicalReaction
inline
getImplicitPropertiesFlag
() const
RDKit::ChemicalReaction
inline
getNumAgentTemplates
() const
RDKit::ChemicalReaction
inline
getNumProductTemplates
() const
RDKit::ChemicalReaction
inline
getNumReactantTemplates
() const
RDKit::ChemicalReaction
inline
getProducts
() const
RDKit::ChemicalReaction
inline
getReactants
() const
RDKit::ChemicalReaction
inline
initReactantMatchers
()
RDKit::ChemicalReaction
isInitialized
() const
RDKit::ChemicalReaction
inline
ReactionPickler
class
RDKit::ChemicalReaction
friend
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::ChemicalReaction
inline
validate
(unsigned int &numWarnings, unsigned int &numErrors, bool silent=false) const
RDKit::ChemicalReaction
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