23#include <boost/rational.hpp>
93 boost::rational<int> &&
frac,
int dist,
int flags);
100 Node *dp_origin =
nullptr;
104 bool d_atropisomerMode =
false;
107 Node *dp_root =
nullptr;
109 Atom *dp_rule6Ref =
nullptr;
113 std::list<Node> d_nodes;
114 std::list<Edge> d_edges;
The class for representing atoms.
class for representing a bond
Digraph(const CIPMol &mol, Atom *atom, bool atropsomerMode=false)
Digraph & operator=(const Digraph &)=delete
void changeRoot(Node *newroot)
Node * getOriginalRoot() const
Node & addNode(std::vector< char > &&visit, Atom *atom, boost::rational< int > &&frac, int dist, int flags)
void setRule6Ref(Atom *ref)
Atom * getRule6Ref() const
const CIPMol & getMol() const
Node * getCurrentRoot() const
Digraph(const Digraph &)=delete
std::vector< Node * > getNodes(Atom *atom) const
bool rdvalue_is(const RDValue_cast_t)