33 #ifndef RDKIT_PREPROCESS_RXN_H 34 #define RDKIT_PREPROCESS_RXN_H 46 unsigned int &numWarnings,
47 unsigned int &numErrors,
49 std::vector<std::pair<unsigned int,std::string> > >&reactantLabels,
53 const std::map<std::string, ROMOL_SPTR> &queries,
57 unsigned int &numWarnings,
58 unsigned int &numErrors,
60 std::vector<std::pair<unsigned int,std::string> > >&reactantLabels,
61 const std::map<std::string, ROMOL_SPTR> &queries,
RDKIT_CHEMREACTIONS_EXPORT bool preprocessReaction(ChemicalReaction &rxn, const std::string &propName=common_properties::molFileValue)
RDKIT_RDGENERAL_EXPORT const std::string molFileValue
#define RDKIT_CHEMREACTIONS_EXPORT