18 #ifndef RD_StereoGroup_092018
19 #define RD_StereoGroup_092018
44 std::vector<Atom*> d_atoms;
61 return (d_grouptype == other.d_grouptype) && (d_atoms == other.d_atoms);
64 return (d_grouptype != other.d_grouptype) || (d_atoms != other.d_atoms);
68 const Atom* atom, std::vector<StereoGroup>& groups);
70 const std::vector<Atom*>& atoms, std::vector<StereoGroup>& groups);
The class for representing atoms.
const std::vector< Atom * > & getAtoms() const
StereoGroup(StereoGroupType grouptype, std::vector< Atom * > &&atoms)
StereoGroup & operator=(const StereoGroup &other)=default
StereoGroup(const StereoGroup &other)=default
StereoGroupType getGroupType() const
StereoGroup(StereoGroup &&other)=default
bool operator==(const StereoGroup &other) const
StereoGroup & operator=(StereoGroup &&other)=default
StereoGroup(StereoGroupType grouptype, const std::vector< Atom * > &atoms)
bool operator!=(const StereoGroup &other) const
#define RDKIT_GRAPHMOL_EXPORT
RDKIT_GRAPHMOL_EXPORT void removeGroupsWithAtom(const Atom *atom, std::vector< StereoGroup > &groups)
RDKIT_GRAPHMOL_EXPORT void removeGroupsWithAtoms(const std::vector< Atom * > &atoms, std::vector< StereoGroup > &groups)