source: src/Fragmentation/Summation/SumUpPerLevel.hpp@ b4bd0e

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Last change on this file since b4bd0e was fbf143, checked in by Frederik Heber <heber@…>, 13 years ago

Placed Containers, Converter, and SetValues as subfolders into Summation.

  • also libMolecuilderFragmentationSummation is now a shared library, easing linkage to libMolecuilderJobs, and contains all of the three convenience libraries.
  • libMolecuilderFragmentationSetValues is now again convenience, as contained in ..Summation which in turn is shared.
  • KeySetsContainer right now is the link between lib..Summation and lib.. Fragmentation. Hence, we had to extract the module and change it into a shared library, as it is required by libMolecuilderJobs through ..Summation but also by ..Fragmentation that heavily relies on this container.
  • moved parseKeySetFile down into Fragmentation folder to KeySetsContainer, it is also contained in new shared library libMolecuilderFragmentation_ KeySetsContainer.
  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * SumUpPerLevel.hpp
3 *
4 * Created on: Aug 27, 2012
5 * Author: heber
6 */
7
8#ifndef SUMUPPERLEVEL_HPP_
9#define SUMUPPERLEVEL_HPP_
10
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17#include <map>
18#include <vector>
19
20#include "Fragmentation/Summation/Converter/DataConverter.hpp"
21#include "Fragmentation/Summation/AllLevelSummator.hpp"
22#include "Fragmentation/Summation/IndexSet.hpp"
23#include "Fragmentation/Summation/IndexSetContainer.hpp"
24
25#include "Fragmentation/Summation/Containers/MPQCData.hpp"
26
27#include <boost/mpl/for_each.hpp>
28
29template <typename TypeMap, typename TypeData, typename TypeVector>
30void SumUpPerLevel(
31 const std::map<JobId_t, TypeData> &fragmentData,
32 const std::map< JobId_t, size_t > &MatrixNrLookup,
33 const IndexSetContainer::ptr &container,
34 SubsetMap::ptr &subsetmap,
35 std::vector<TypeMap> &levelresults,
36 std::map<IndexSet::ptr, std::pair<TypeMap, TypeMap> > &keysetresults
37 )
38{
39 // place data into boost::fusion::map instance
40 std::map<JobId_t, TypeMap> Data_fused;
41 convertDataTo<TypeData, TypeMap>(fragmentData, Data_fused);
42 // instantiate summator
43 levelresults.resize(subsetmap->getMaximumSetLevel());
44 AllLevelSummator<TypeMap> Summer(
45 subsetmap,
46 Data_fused,
47 container->getContainer(),
48 MatrixNrLookup,
49 levelresults,
50 keysetresults);
51 // sum up for each type key in TypeVector
52 boost::mpl::for_each<TypeVector>(boost::ref(Summer));
53}
54
55
56#endif /* SUMUPPERLEVEL_HPP_ */
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