source: src/Fragmentation/Summation/AllLevelSummator.hpp@ fba720

Candidate_v1.6.1 ChemicalSpaceEvaluator TremoloParser_IncreasedPrecision
Last change on this file since fba720 was da098d2, checked in by Frederik Heber <heber@…>, 9 years ago

..Summators and AllLevel..Summators pass through ZeroInstance, added ZeroInstanceInitializer.

  • ZeroInstanceInitializer fills the boost::fusion::map with default values.
  • this is handed to AllLevel..Summators that use ..Summators::setZeroInstance() if the present entry in the fusion map is unequal to ZeroInstance<T>.
  • ..SumUpPerLevel instantiate a default set of zero instances and pass it on for the moment.
  • Property mode set to 100644
File size: 4.8 KB
RevLine 
[c40e15d]1/*
[ff9963]2 * AllLevelSummator.hpp
[c40e15d]3 *
4 * Created on: 29.07.2012
5 * Author: heber
6 */
7
[ff9963]8#ifndef ALLLEVELSUMMATOR_HPP_
9#define ALLLEVELSUMMATOR_HPP_
[c40e15d]10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16#include <vector>
17
[ff9963]18#include "CodePatterns/Assert.hpp"
19
[c40e15d]20#include "Fragmentation/Summation/IndexSetContainer.hpp"
21#include "Fragmentation/Summation/SubsetMap.hpp"
22#include "Fragmentation/Summation/Summator.hpp"
[da098d2]23#include "Fragmentation/Summation/ZeroInstance.hpp"
[c40e15d]24
25#include "Fragmentation/Summation/printKeyNames.hpp"
26
[ff9963]27/** Tiny template functor to use Summation, sum up each level, and store the
28 * result in a given vector.
[c40e15d]29 *
30 */
31template <typename MapType>
[ff9963]32struct AllLevelSummator {
[c40e15d]33 /** Constructor takes the arguments that \a Summator also needs and stores
34 * them internally.
35 *
36 * \param _subsetmap map with hierarchy of IndexSet's
[c9f9bb]37 * \param _data MPQCData converted to MPQCDataMap_t type, associated to job id
[c40e15d]38 * \param _container container of IndexSet's such that each set has correct order
39 * to job id and hence to _data.
[675cd6]40 * \param _MatrixNrLookup lookup from job id to ordering in above vectors, if
41 * out of range this value is set to zero, hence ignored.
[b8f0b25]42 * \param _levelresults vector place levelresults into
[da098d2]43 * \param _keysetresults results per index set, set by operator()
44 * \param _ZeroInstances zero instance to use in summation for each type
[c40e15d]45 */
[ff9963]46 AllLevelSummator(
[c40e15d]47 SubsetMap::ptr &_subsetmap,
[c9f9bb]48 const std::map<JobId_t, MapType> &_data,
[c40e15d]49 const IndexSetContainer::Container_t &_container,
[3dd32f]50 const std::map< JobId_t, size_t > &_MatrixNrLookup,
[b8f0b25]51 std::vector<MapType> &_levelresults,
[da098d2]52 std::map<IndexSet::ptr, std::pair<MapType, MapType> > &_keysetresults,
53 MapType &_ZeroInstances) :
[c40e15d]54 subsetmap(_subsetmap),
55 data(_data),
56 container(_container),
[ff9963]57 MatrixNrLookup(_MatrixNrLookup),
[b8f0b25]58 levelresults(_levelresults),
[da098d2]59 keysetresults(_keysetresults),
60 ZeroInstances(_ZeroInstances)
[ff9963]61 {
[b8f0b25]62 ASSERT( levelresults.size() >= subsetmap->getMaximumSetLevel(),
[ff9963]63 "AllLevelSummator() - result vector is not large enough.");
64 }
[c40e15d]65
66 /** Operator that calls on Summator and prints the value.
67 *
68 * \note the parameter is needed for boost::mpl::for_each but is not
69 * used here.
70 */
71 template <typename MapKey>
72 void operator()(MapKey &) {
73 // We retrieve the type of the MPQCData member variable from the boost::fusion::map.
74 typedef typename boost::fusion::result_of::value_at_key<MapType, MapKey>::type MapValue;
[b8f0b25]75
[c40e15d]76 // create Summator instance
77 Summator<MapType, MapKey> sum_value(
[c9f9bb]78 subsetmap, data, container, MatrixNrLookup
[c40e15d]79 );
[b8f0b25]80
[da098d2]81 // set zero instance
82 const MapValue &DesiredZeroInstance = boost::fusion::at_key<MapKey>(ZeroInstances);
83 if (DesiredZeroInstance != ZeroInstance<MapValue>())
84 sum_value.setZeroInstance(DesiredZeroInstance);
85
[b8f0b25]86 // fill levelresults
[19c50e]87 const size_t MaxLevel = subsetmap->getMaximumSetLevel();
[ff9963]88 for (size_t level=1; level <= MaxLevel; ++level) {
[b8f0b25]89 MapType &LevelResults = levelresults[level-1];
90 // sum up and store in levelresults
[ff9963]91 const MapValue value = sum_value(level);
92 boost::fusion::at_key<MapKey>(LevelResults) = value;
93 // print value
94 //LOG(0, "STATUS: Level " << level << " resulting " << printKeyNames::printName<MapKey>() << " is " << value << ".");
95 }
[b8f0b25]96
97 // fill keysetresults
98 for (IndexSetContainer::Container_t::const_iterator indexsetiter = container.begin();
99 indexsetiter != container.end(); ++indexsetiter) {
100 const IndexSet::ptr &index = *indexsetiter;
101 // this either generates a new entry or updates the present one, as we obtain ref to value
[79398d]102 boost::fusion::at_key<MapKey>(keysetresults[index].first) =
103 sum_value.getValueForIndexSet(index);
104 boost::fusion::at_key<MapKey>(keysetresults[index].second) =
[b8f0b25]105 sum_value.getContributionForIndexSet(index);
106 }
[c40e15d]107 }
108
109private:
110 //!> Hierarchy of IndexSet's
111 SubsetMap::ptr &subsetmap;
112 //!> vector of data converted from MPQCData
[c9f9bb]113 const std::map<JobId_t, MapType> &data;
[c40e15d]114 //!> container with all IndexSet's
115 const IndexSetContainer::Container_t &container;
116 //!> lookup map from job ids to ordering in above vectors
[3dd32f]117 const std::map< JobId_t, size_t > &MatrixNrLookup;
[b8f0b25]118 //!> vector of levelresults
119 std::vector<MapType> &levelresults;
[79398d]120 typedef std::pair< IndexSet::ptr, std::pair<MapType, MapType> > keysetresults_pair_t;
[b8f0b25]121 //!> typedef for map for keyset and each resulting value
[79398d]122 typedef std::map<IndexSet::ptr, std::pair<MapType, MapType> > keysetresults_t;
[b8f0b25]123 //!> map for IndexSet and its associated contribution
124 keysetresults_t &keysetresults;
[da098d2]125 //!> map per type to sum of base/zero instances to enforce specific parameters in summation
126 MapType &ZeroInstances;
[c40e15d]127};
128
[ff9963]129#endif /* ALLLEVELSUMMATOR_HPP_ */
Note: See TracBrowser for help on using the repository browser.