1 #ifndef BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENT_H 2 #define BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENT_H 4 #ifndef BALL_COMMON_GLOBAL_H 8 #ifndef BALL_DATATYPE_HASHMAP_H 12 #ifndef BALL_STRUCTURE_BONDORDERS_PARTIALBONDORDERASSIGNMENT_H 18 class AssignBondOrderProcessor;
75 #endif // BALL_STRUCTURE_BONDORDERS_BONDORDERASSIGNMENT_H Assignment of bond orders from topology information.
vector< Atom * > atoms_to_delete
HashMap< Atom *, int > number_of_virtual_hydrogens
A solution to the bond order assignment problem.
HashMap< Bond *, int > bond_order_map
-*- Mode: C++; tab-width: 2; -*-
int getNumberOfNodeExpansions() const
HashMap class based on the STL map (containing serveral convenience functions)
A full or partial solution to the AStar-based bond order assignment problem.