PreprocessRxn.h File Reference

#include <RDGeneral/export.h>
#include "Reaction.h"
#include <string>
#include <exception>

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Namespaces
namespace	RDKit
	Std stuff.

Functions
RDKIT_CHEMREACTIONS_EXPORT bool	RDKit::preprocessReaction (ChemicalReaction &rxn, const std::string &propName=common_properties::molFileValue)
RDKIT_CHEMREACTIONS_EXPORT bool	RDKit::preprocessReaction (ChemicalReaction &rxn, unsigned int &numWarnings, unsigned int &numErrors, std::vector< std::vector< std::pair< unsigned int, std::string > > > &reactantLabels, const std::string &propName=common_properties::molFileValue)
RDKIT_CHEMREACTIONS_EXPORT bool	RDKit::preprocessReaction (ChemicalReaction &rxn, const std::map< std::string, ROMOL_SPTR > &queries, const std::string &propName=common_properties::molFileValue)
RDKIT_CHEMREACTIONS_EXPORT bool	RDKit::preprocessReaction (ChemicalReaction &rxn, unsigned int &numWarnings, unsigned int &numErrors, std::vector< std::vector< std::pair< unsigned int, std::string > > > &reactantLabels, const std::map< std::string, ROMOL_SPTR > &queries, const std::string &propName=common_properties::molFileValue)