18#ifndef RD_StereoGroup_092018
19#define RD_StereoGroup_092018
46 std::vector<Atom*> d_atoms;
50 unsigned d_readId = 0u;
51 unsigned d_writeId = 0u;
75 return (d_grouptype == other.d_grouptype) && (d_atoms == other.d_atoms);
78 return (d_grouptype != other.d_grouptype) || (d_atoms != other.d_atoms);
82 const Atom* atom, std::vector<StereoGroup>&
groups);
84 const std::vector<Atom*>& atoms, std::vector<StereoGroup>&
groups);
90 std::vector<StereoGroup>&
groups);
RDKIT_GRAPHMOL_EXPORT std::ostream & operator<<(std::ostream &target, const RDKit::StereoGroup &stg)
allows StereoGroup objects to be dumped to streams
The class for representing atoms.
StereoGroup & operator=(const StereoGroup &other)=default
StereoGroup & operator=(StereoGroup &&other)=default
unsigned getWriteId() const
StereoGroup(StereoGroupType grouptype, const std::vector< Atom * > &atoms, unsigned readId=0)
StereoGroup(const StereoGroup &other)=default
StereoGroup(StereoGroupType grouptype, std::vector< Atom * > &&atoms, unsigned readId=0)
StereoGroupType getGroupType() const
unsigned getReadId() const
StereoGroup(StereoGroup &&other)=default
bool operator==(const StereoGroup &other) const
void setWriteId(unsigned id)
bool operator!=(const StereoGroup &other) const
const std::vector< Atom * > & getAtoms() const
#define RDKIT_GRAPHMOL_EXPORT
RDKIT_GRAPHMOL_EXPORT void forwardStereoGroupIds(ROMol &mol)
bool rdvalue_is(const RDValue_cast_t)
RDKIT_GRAPHMOL_EXPORT void removeGroupsWithAtom(const Atom *atom, std::vector< StereoGroup > &groups)
RDKIT_GRAPHMOL_EXPORT void assignStereoGroupIds(std::vector< StereoGroup > &groups)
RDKIT_GRAPHMOL_EXPORT void removeGroupsWithAtoms(const std::vector< Atom * > &atoms, std::vector< StereoGroup > &groups)