32 #ifndef RDKIT_PREPROCESS_RXN_H 33 #define RDKIT_PREPROCESS_RXN_H 45 unsigned int &numWarnings,
46 unsigned int &numErrors,
48 std::vector<std::pair<unsigned int,std::string> > >&reactantLabels,
52 const std::map<std::string, ROMOL_SPTR> &queries,
56 unsigned int &numWarnings,
57 unsigned int &numErrors,
59 std::vector<std::pair<unsigned int,std::string> > >&reactantLabels,
60 const std::map<std::string, ROMOL_SPTR> &queries,
const std::string molFileValue
bool preprocessReaction(ChemicalReaction &rxn, const std::string &propName=common_properties::molFileValue)