/* * OrthogonalFullSummator.hpp * * Created on: 08.09.2012 * Author: heber */ #ifndef ORTHOGONALFULLSUMMATOR_HPP_ #define ORTHOGONALFULLSUMMATOR_HPP_ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include #include "CodePatterns/Assert.hpp" #include "Fragmentation/Summation/OrthogonalSummation.hpp" #include "Fragmentation/Summation/SetValue.hpp" #include "Jobs/MPQCDataMap.hpp" /** OrthogonalFullSummator is a general class for making us of OrthogonalSummation. * * * This class is very similar to OrthogonalSummation only that we specifically include * the full set (with a value!) as well. Also there is a function to obtain the * contribution. This is intended to check a full calculation against the truncated * sum. */ template struct OrthogonalFullSummator { /** We retrieve the type of the MPQCData member variable from the * boost::fusion::map and stored it in this typedef. Note that for * internal types (e.g. MapValue::const_iterator we need to place * \b typename before). */ typedef typename boost::fusion::result_of::value_at_key::type MapValue; /** Constructor for class OrthogonalFullSummator. * * \param _subsetmap map with hierarchy of IndexSet's * \param _data MPQCData converted to MPQCDataMap_t type, associated to job id * \param _container container of IndexSet's such that each set has correct order * to job id and hence to _data. * \param _MatrixNrLookup lookup from job id to ordering in above vectors */ OrthogonalFullSummator( SubsetMap::ptr &_subsetmap, const std::map &_data, const IndexSetContainer::Container_t &_container, const std::map< JobId_t, size_t > &_MatrixNrLookup) : indices(getSubsets(_container)), values(createValues(_data, _container, _MatrixNrLookup)), OS(indices, values, _subsetmap) { ASSERT( _data.size() == _container.size(), "OrthogonalFullSummator() - data and indices don't have same size."); ASSERT( _data.size() == _MatrixNrLookup.size(), "OrthogonalFullSummator() - ids and MatrixNrLookup don't have same size."); } /** Summation operator. * * Initialises instantiated OrthogonalSummation of the respective type via * \a OrthogonalFullSummator::data, uses OrthogonalSummation::operator() to sum and returns * the result. * * \param level up to which level to sum up * \return result of OrthogonalSummation for given type from MPQCDataMap_t. */ MapValue operator()(const size_t level) { // evaluate const MapValue result = OS(level); return result; } /** Getter for the remaining contribution of the full set. * * @return contribution of allindices */ MapValue getFullContribution() const { typename SetValueMap::const_iterator iter = --OS.getSetValues().end(); return iter->second->getContribution(); } private: /** Tiny helper to create the indices from a given IndexSetContainer. * * @param container container with IndexSet * @return all subsets contained in \a container */ typename OrthogonalSummation::InputSets_t getSubsets( const IndexSetContainer::Container_t &container) { typename OrthogonalSummation::InputSets_t indices( container.begin(), container.end()); return indices; } /** Tiny helper to create the values for the summation in the correct order. * * @param data * @param container * @param MatrixNrLookup * @return */ typename OrthogonalSummation::InputValues_t createValues( const std::map &data, const IndexSetContainer::Container_t &container, const std::map< JobId_t, size_t > &MatrixNrLookup) { typename OrthogonalSummation::InputValues_t values(container.size()); for (typename std::map::const_iterator dataiter = data.begin(); dataiter != data.end(); ++dataiter) { const MapType &Data = dataiter->second; const JobId_t &jobid = dataiter->first; const MapValue &value = boost::fusion::at_key(Data); const std::map< JobId_t, size_t >::const_iterator nriter = MatrixNrLookup.find(jobid); ASSERT( nriter != MatrixNrLookup.end(), "OrthogonalFullSummation<>::createValues() - MatrixNrLookup does not contain id " +toString(jobid)+"."); values[ nriter->second ] = value; } return values; } private: //!> created indices for OS such that we may hand over refs typename OrthogonalSummation::InputSets_t indices; //!> created values for OS such that we may hand over refs typename OrthogonalSummation::InputValues_t values; //!> Summation instance to use in operator()(level) OrthogonalSummation OS; }; #endif /* ORTHOGONALFULLSUMMATOR_HPP_ */