source: src/Fragmentation/Summation/OrthogonalSumUpPerLevel.hpp@ 6531a7

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Last change on this file since 6531a7 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: 1.6 KB
Line 
1/*
2 * OrthogonalSumUpPerLevel.hpp
3 *
4 * Created on: Aug 27, 2012
5 * Author: heber
6 */
7
8#ifndef ORTHOGONALSUMUPPERLEVEL_HPP_
9#define ORTHOGONALSUMUPPERLEVEL_HPP_
10
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17
18#include <map>
19#include <vector>
20
21#include "Fragmentation/Summation/Converter/DataConverter.hpp"
22#include "Fragmentation/Summation/AllLevelOrthogonalSummator.hpp"
23#include "Fragmentation/Summation/IndexSet.hpp"
24#include "Fragmentation/Summation/IndexSetContainer.hpp"
25
26#include "Fragmentation/Summation/Containers/MPQCData.hpp"
27
28#include <boost/mpl/for_each.hpp>
29
30template <typename TypeMap, typename TypeData, typename TypeVector>
31void OrthogonalSumUpPerLevel(
32 const std::map<JobId_t, TypeData> &fragmentData,
33 const std::map< JobId_t, size_t > &MatrixNrLookup,
34 const IndexSetContainer::ptr &container,
35 SubsetMap::ptr &subsetmap,
36 std::vector<TypeMap> &levelresults,
37 std::map<IndexSet::ptr, std::pair<TypeMap, TypeMap> > &keysetresults
38 )
39{
40 // place data into boost::fusion::map instance
41 std::map<JobId_t, TypeMap> Data_fused;
42 convertDataTo<TypeData, TypeMap>(fragmentData, Data_fused);
43 // instantiate summator
44 levelresults.resize(subsetmap->getMaximumSetLevel());
45 AllLevelOrthogonalSummator<TypeMap> Summer(
46 subsetmap,
47 Data_fused,
48 container->getContainer(),
49 MatrixNrLookup,
50 levelresults,
51 keysetresults);
52 // sum up for each type key in TypeVector
53 boost::mpl::for_each<TypeVector>(boost::ref(Summer));
54}
55
56
57#endif /* ORTHOGONALSUMUPPERLEVEL_HPP_ */
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