source: src/Fragmentation/AdaptivityMap.hpp@ 95b384

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Last change on this file since 95b384 was 851be8, checked in by Frederik Heber <heber@…>, 13 years ago

Moved functions that deal with adaptivity from fragmentation_helpers into AdaptivityMap.
  • Property mode set to 100644
File size: 1.0 KB
Line 
1/*
2 * AdaptivityMap.hpp
3 *
4 * Created on: Oct 20, 2011
5 * Author: heber
6 */
7
8#ifndef ADAPTIVITYMAP_HPP_
9#define ADAPTIVITYMAP_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16#include <iosfwd>
17#include <string>
18
19#include <map>
20
21#include "Fragmentation/KeySet.hpp"
22
23class molecule;
24
25class AdaptivityMap : public std::map<int, KeySet>
26{
27public:
28 AdaptivityMap();
29 ~AdaptivityMap();
30
31 void InsertIntoAdaptiveCriteriaList(int FragOrder, int No, double Value);
32 void ScanAdaptiveFileIntoMap(std::string &path);
33 void ReMapAdaptiveCriteriaListToValue(molecule *mol);
34 int CountLinesinFile(std::ifstream &InputFile) const;
35 bool MarkUpdateCandidates(bool *AtomMask, int Order, molecule *mol) const ;
36
37 bool IsAdaptiveCriteriaListEmpty() const;
38
39private:
40 typedef std::map<double, std::pair<int,int> > AdaptiveCriteriaValueMap;
41 typedef std::map<int, std::pair<double,int> > AdaptiveCriteriaIndexMap;
42
43 AdaptiveCriteriaIndexMap *AdaptiveCriteriaList;
44 AdaptiveCriteriaValueMap *FinalRootCandidates;
45};
46
47
48#endif /* ADAPTIVITYMAP_HPP_ */
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