11 #ifndef RD_TAUTOMER_CATALOG_PARAMS_H
12 #define RD_TAUTOMER_CATALOG_PARAMS_H
24 namespace MolStandardize {
25 class TautomerTransform;
31 d_typeStr =
"Tautomer Catalog Parameters";
37 const std::vector<std::tuple<std::string, std::string, std::string,
55 std::vector<TautomerTransform> d_transforms;
pulls in the core RDKit functionality
abstract base class for the container used to create a catalog
std::string Serialize() const override
returns a string with a serialized (pickled) representation
const TautomerTransform getTransform(unsigned int fid) const
~TautomerCatalogParams() override
TautomerCatalogParams(const std::vector< std::tuple< std::string, std::string, std::string, std::string >> &data)
void initFromStream(std::istream &ss) override
initializes from a stream pickle
TautomerCatalogParams(const std::string &tautomerFile)
void initFromString(const std::string &text) override
initializes from a string pickle
void toStream(std::ostream &) const override
serializes (pickles) to a stream
TautomerCatalogParams(const TautomerCatalogParams &other)
const std::vector< TautomerTransform > & getTransforms() const
#define RDKIT_MOLSTANDARDIZE_EXPORT