RDKit: Member List

| RDKit Open-source cheminformatics and machine learning.

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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 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 class | 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 |