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 std::string &binStr)	RDKit::ChemicalReaction
ChemicalReaction(const ChemicalReaction &other)	RDKit::ChemicalReaction	inline
clear()	RDKit::RDProps	inline
clearComputedProps() const	RDKit::RDProps	inline
clearProp(const std::string &key) const	RDKit::RDProps	inline
d_props	RDKit::RDProps	mutableprotected
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
getDict() const	RDKit::RDProps	inline
getDict()	RDKit::RDProps	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
getProp(const std::string &key, T &res) const	RDKit::RDProps	inline
getProp(const std::string &key) const	RDKit::RDProps	inline
getPropIfPresent(const std::string &key, T &res) const	RDKit::RDProps	inline
getPropList(bool includePrivate=true, bool includeComputed=true) const	RDKit::RDProps	inline
getReactants() const	RDKit::ChemicalReaction	inline
getSubstructParams() const	RDKit::ChemicalReaction	inline
getSubstructParams()	RDKit::ChemicalReaction	inline
hasProp(const std::string &key) const	RDKit::RDProps	inline
initReactantMatchers(bool silent=false)	RDKit::ChemicalReaction
isInitialized() const	RDKit::ChemicalReaction	inline
operator=(const ChemicalReaction &other)	RDKit::ChemicalReaction	inline
RDKit::RDProps::operator=(const RDProps &rhs)	RDKit::RDProps	inline
RDKit::RDProps::operator=(RDProps &&rhs) noexcept=default	RDKit::RDProps
RDProps()	RDKit::RDProps	inline
RDProps(const RDProps &rhs)	RDKit::RDProps	inline
RDProps(RDProps &&o) noexcept=default	RDKit::RDProps
ReactionPickler	RDKit::ChemicalReaction	friend
removeAgentTemplates(MOL_SPTR_VECT *targetVector=nullptr)	RDKit::ChemicalReaction
removeUnmappedProductTemplates(double thresholdUnmappedAtoms=0.2, bool moveToAgentTemplates=true, MOL_SPTR_VECT *targetVector=nullptr)	RDKit::ChemicalReaction
removeUnmappedReactantTemplates(double thresholdUnmappedAtoms=0.2, bool moveToAgentTemplates=true, MOL_SPTR_VECT *targetVector=nullptr)	RDKit::ChemicalReaction
runReactant(ROMOL_SPTR reactant, unsigned int reactantTemplateIdx) const	RDKit::ChemicalReaction
runReactant(RWMol &reactant, bool removeUnmatchedAtoms=true) const	RDKit::ChemicalReaction
runReactants(const MOL_SPTR_VECT reactants, unsigned int numProducts=1000) const	RDKit::ChemicalReaction
setImplicitPropertiesFlag(bool val)	RDKit::ChemicalReaction	inline
setProp(const std::string &key, T val, bool computed=false) const	RDKit::RDProps	inline
updateProps(const RDProps &source, bool preserveExisting=false)	RDKit::RDProps	inline
validate(unsigned int &numWarnings, unsigned int &numErrors, bool silent=false) const	RDKit::ChemicalReaction