RDKit: ReactionUtils.h File Reference

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ReactionUtils.h File Reference
`#include <GraphMol/ChemReactions/Reaction.h>`

Go to the source code of this file.

## Namespaces
| RDKit
| Std stuff.

## Enumerations
enum | RDKit::ReactionMoleculeType { RDKit::Reactant, RDKit::Product, RDKit::Agent }

## Functions
MOL_SPTR_VECT::const_iterator | RDKit::getStartIterator (const ChemicalReaction &rxn, ReactionMoleculeType t)
MOL_SPTR_VECT::const_iterator | RDKit::getEndIterator (const ChemicalReaction &rxn, ReactionMoleculeType t)
bool | RDKit::hasReactantTemplateSubstructMatch (const ChemicalReaction &rxn, const ChemicalReaction &query_rxn)
bool | RDKit::hasProductTemplateSubstructMatch (const ChemicalReaction &rxn, const ChemicalReaction &query_rxn)
bool | RDKit::hasAgentTemplateSubstructMatch (const ChemicalReaction &rxn, const ChemicalReaction &query_rxn)
bool | RDKit::hasReactionSubstructMatch (const ChemicalReaction &rxn, const ChemicalReaction &query_rxn, bool includeAgents=false)
bool | RDKit::hasReactionAtomMapping (const ChemicalReaction &rxn)
bool | RDKit::isReactionTemplateMoleculeAgent (const ROMol &mol, double agentThreshold)
void | RDKit::updateProductsStereochem (ChemicalReaction *rxn)
void | RDKit::removeMappingNumbersFromReactions (const ChemicalReaction &rxn)