ReactionParser.h File Reference

#include <string>
#include <iostream>

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Namespaces
namespace	RDKit
Classes
class	RDKit::ChemicalReactionParserException
	used to indicate an error in parsing reaction data More...
Functions
ChemicalReaction *	RDKit::RxnBlockToChemicalReaction (const std::string &rxnBlock)
	Parse a text block in MDL rxn format into a ChemicalReaction.
ChemicalReaction *	RDKit::RxnFileToChemicalReaction (const std::string &fileName)
	Parse a file in MDL rxn format into a ChemicalReaction.
ChemicalReaction *	RDKit::RxnDataStreamToChemicalReaction (std::istream &rxnStream, unsigned int &line)
	Parse a text stream in MDL rxn format into a ChemicalReaction.
ChemicalReaction *	RDKit::RxnSmartsToChemicalReaction (const std::string &text)
	Parse a string containing "Reaction SMARTS" into a ChemicalReaction.