11 #ifndef __RD_TAUTOMER_CATALOG_PARAMS_H__ 12 #define __RD_TAUTOMER_CATALOG_PARAMS_H__ 24 namespace MolStandardize {
25 struct TautomerTransform;
31 d_typeStr =
"Tautomer Catalog Parameters";
42 return static_cast<unsigned int>(d_transforms.size());
45 const std::vector<TautomerTransform> &getTransforms()
const;
49 void toStream(std::ostream &)
const override;
50 std::string Serialize()
const override;
51 void initFromStream(std::istream &ss)
override;
52 void initFromString(
const std::string &text)
override;
56 std::vector<TautomerTransform> d_transforms;
unsigned int getNumTautomers() const
pulls in the core RDKit functionality
RDKIT_RDGENERAL_EXPORT std::ostream & toStream(std::ostream &)
#define RDKIT_MOLSTANDARDIZE_EXPORT
abstract base class for the container used to create a catalog