17 #ifndef MAGNES_RINGPERCEPTOR_H 36 std::vector<size_t>& Path() {
return _path; }
37 const std::vector<size_t>& Path()
const {
return _path;}
39 Edge operator+ ( Edge& b );
41 std::vector< size_t > _path;
49 std::vector< std::vector<size_t> >
Rings (
size_t size=0 );
53 size_t CommonElements (
const Edge& edg1,
const Edge& edg2 );
57 std::vector< size_t > m_vertex;
58 std::vector < Edge > m_edges;
59 std::vector<Edge> m_rings;
62 #endif //MAGNES_RINGPERCEPTOR_H the global magnes namespace
Definition: ccchequation.h:38
Implementation of a ring perception algorithm.
Definition: ringperceptor.h:30
Definition: molecule.h:44
Representation of a conformer.
Definition: frame.h:33
std::vector< std::vector< size_t > > Rings(size_t size=0)