25namespace MolStandardize {
64 std::vector<int> boundMetalIndices;
66 int chargeAdjustment(
const Atom *a,
int order);
Defines the primary molecule class ROMol as well as associated typedefs.
The class for representing atoms.
RWMol is a molecule class that is intended to be edited.
#define RDKIT_MOLSTANDARDIZE_EXPORT
boost::shared_ptr< ROMol > ROMOL_SPTR