11 #ifndef _RD_SMARTSWRITE_H 12 #define _RD_SMARTSWRITE_H 19 namespace SmartsWrite {
Class for storing atomic queries.
RDKIT_SMILESPARSE_EXPORT std::string GetAtomSmarts(const QueryAtom *qatom)
returns the SMARTS for a QueryAtom
RDKIT_SMILESPARSE_EXPORT std::string MolToSmarts(ROMol &mol, bool doIsomericSmarts=true)
returns the SMARTS for a molecule
#define RDKIT_SMILESPARSE_EXPORT
Class for storing Bond queries.
RDKIT_SMILESPARSE_EXPORT std::string GetBondSmarts(const QueryBond *qbond, int atomToLeftIdx=-1)
returns the SMARTS for a QueryBond