11 #ifndef RD_MOLINTERCHANGE_H_JAN2018 12 #define RD_MOLINTERCHANGE_H_JAN2018 30 #include <boost/shared_ptr.hpp> 36 namespace MolInterchange {
40 bool setAromaticBonds =
42 bool strictValenceCheck =
44 bool parseProperties =
46 bool parseConformers =
57 std::istream *inStream,
66 const std::string &jsonBlock,
82 std::vector<const T *> ms{&mol};
static JSONParseParameters defaultJSONParseParameters
RDKIT_MOLINTERCHANGE_EXPORT std::vector< boost::shared_ptr< ROMol > > JSONDataToMols(const std::string &jsonBlock, const JSONParseParameters ¶ms=defaultJSONParseParameters)
RDKIT_MOLINTERCHANGE_EXPORT std::vector< boost::shared_ptr< ROMol > > JSONDataStreamToMols(std::istream *inStream, const JSONParseParameters ¶ms=defaultJSONParseParameters)
std::string MolToJSONData(const T &mol)
#define RDKIT_MOLINTERCHANGE_EXPORT
RDKIT_MOLINTERCHANGE_EXPORT std::string MolsToJSONData(const std::vector< T > &mols)