33#ifndef RDKIT_PREPROCESS_RXN_H
34#define RDKIT_PREPROCESS_RXN_H
48 std::vector<std::vector<std::pair<unsigned int, std::string>>>
58 std::vector<std::vector<std::pair<unsigned int, std::string>>>
60 const std::map<std::string, ROMOL_SPTR> &
queries,
This is a class for storing and applying general chemical reactions.
#define RDKIT_CHEMREACTIONS_EXPORT
RDKIT_RDGENERAL_EXPORT const std::string molFileValue
RDKIT_CHEMREACTIONS_EXPORT bool preprocessReaction(ChemicalReaction &rxn, const std::string &propName=common_properties::molFileValue)
bool rdvalue_is(const RDValue_cast_t)