33 #ifndef RDKIT_PREPROCESS_RXN_H 34 #define RDKIT_PREPROCESS_RXN_H 43 ChemicalReaction &rxn,
47 ChemicalReaction &rxn,
unsigned int &numWarnings,
unsigned int &numErrors,
48 std::vector<std::vector<std::pair<unsigned int, std::string>>>
53 ChemicalReaction &rxn,
const std::map<std::string, ROMOL_SPTR> &queries,
57 ChemicalReaction &rxn,
unsigned int &numWarnings,
unsigned int &numErrors,
58 std::vector<std::vector<std::pair<unsigned int, std::string>>>
60 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