smiles.hpp 228 B

12345678910111213141516171819202122232425
  1. // used to cache data while parsing a smiles string
  2. class SmilesMeta {
  3. public:
  4. Atom* atom;
  5. int number;
  6. int isotope;
  7. int attachedHydrogens;
  8. int charge;
  9. bool aromaticShorthand;
  10. };
  11. int parseSmiles(char* src);