source: src/Fragmentation/BondsPerShortestPath.hpp@ 851be8

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Last change on this file since 851be8 was dadc74, checked in by Frederik Heber <heber@…>, 14 years ago

Extracted Graph (map of KeySets) into own class from graph.hpp.
  • Property mode set to 100644
File size: 969 bytes
Line 
1/*
2 * BondsPerShortestPath.hpp
3 *
4 * Created on: Oct 18, 2011
5 * Author: heber
6 */
7
8#ifndef BONDSPERSHORTESTPATH_HPP_
9#define BONDSPERSHORTESTPATH_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16#include <list>
17#include <vector>
18
19class atom;
20class bond;
21class KeySet;
22
23class BondsPerShortestPath
24{
25public:
26 explicit BondsPerShortestPath(int _Order);
27 ~BondsPerShortestPath();
28
29 void InitialiseSPList();
30 void FreeSPList();
31 void SetSPList(atom *_Root);
32 void ResetSPList();
33 void FillSPListandLabelVertices(int _RootKeyNr, KeySet &RestrictedKeySet);
34 void OutputSPList();
35 int CountNumbersInBondsList();
36
37 int getOrder() const;
38
39 typedef std::list<bond*> BondsPerSP;
40 typedef std::vector< BondsPerSP > AllSPBonds;
41
42 int *BondsPerSPCount;
43 AllSPBonds BondsPerSPList;
44
45private:
46 //!> bond order (limits BFS exploration and "number of digits" in power set generation
47 int Order;
48};
49
50
51#endif /* BONDSPERSHORTESTPATH_HPP_ */
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