11#ifndef RD_TRANSFORM_CATALOG_PARAMS_H
12#define RD_TRANSFORM_CATALOG_PARAMS_H
25namespace MolStandardize {
30 d_typeStr =
"Transform Catalog Parameters";
31 d_transformations.clear();
38 const std::vector<std::pair<std::string, std::string>> &data);
45 return static_cast<unsigned int>(d_transformations.size());
63 std::vector<std::shared_ptr<ChemicalReaction>> d_transformations;
pulls in the core RDKit functionality
abstract base class for the container used to create a catalog
This is a class for storing and applying general chemical reactions.
#define RDKIT_MOLSTANDARDIZE_EXPORT