ForceAnnealing_with_BondGraph_continued_betteresults
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Last change
on this file since 982e6d was b4f72c, checked in by Frederik Heber <heber@…>, 12 years ago |
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ExportGraph_ToFiles now does not require molecule reference anymore.
- SortIndex is now just a dummy (identity) map.
- FragmentationAction combines all graphs from each Fragmentationm call and
exports these in one go.
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-
Property mode
set to
100644
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File size:
513 bytes
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| [dcbb5d] | 1 | /*
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| 2 | * SortIndex.hpp
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| 3 | *
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| 4 | * Created on: Sep 20, 2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef SORTINDEX_HPP_
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| 9 | #define SORTINDEX_HPP_
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| 10 |
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | #include <map>
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| 18 |
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| 19 | #include "types.hpp"
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| 20 |
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| 21 | class molecule;
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| 22 |
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| 23 | /** This is just a wrapper class meant for refactoring. It emulates a map.
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| 24 | *
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| 25 | */
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| 26 | class SortIndex_t
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| 27 | {
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| 28 | public:
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| 29 | SortIndex_t();
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| 30 |
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| 31 | int find(atomId_t id) const;
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| 32 |
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| 33 | private:
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| 34 | typedef std::map<atomId_t, int> index_t;
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| 35 | index_t index;
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| 36 | };
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| 37 |
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| 38 |
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| 39 | #endif /* SORTINDEX_HPP_ */
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