source: src/Fragmentation/Summation/Containers/VMGDataMap.hpp@ 6ff62c

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Last change on this file since 6ff62c was fbf143, checked in by Frederik Heber <heber@…>, 12 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: 2.0 KB
RevLine 
[358ddb]1/*
2 * VMGDataMap.hpp
3 *
4 * Created on: Aug 8, 2012
5 * Author: heber
6 */
7
8#ifndef VMGDATAMAP_HPP_
9#define VMGDATAMAP_HPP_
10
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17#include <boost/fusion/container/map.hpp>
18#include <boost/mpl/list.hpp>
19
[fbf143]20#include "Fragmentation/Summation/Containers/VMGDataFused.hpp"
[358ddb]21
22class SamplingGrid;
23
24/** This boost::fusion map defines key-value or rather key-type pairs with
25 * which we associate all sampled_grid data members in VMGData and their type.
26 *
27 * This lets us resolves any ambiguitites of types in VMGData, e.g.
28 * to know vector<double> is forces or energy_eigenvalues.
29 *
30 */
31typedef boost::fusion::map<
32 boost::fusion::pair<VMGDataFused::sampled_potential, SamplingGrid >,
[c5feef]33 boost::fusion::pair<VMGDataFused::energy_potential, double >,
[358ddb]34 boost::fusion::pair<VMGDataFused::energy_long, double >
35> VMGDataMap_t;
36
37typedef boost::mpl::list<
38 VMGDataFused::sampled_potential,
[c5feef]39 VMGDataFused::energy_potential,
[358ddb]40 VMGDataFused::energy_long
41> VMGDataVector_t;
42
[a2295a]43/** This boost::fusion map defines key-value or rather key-type pairs with
44 * which we associate all sampled_grid data members in VMGData and their type.
45 *
46 * This lets us resolves any ambiguitites of types in VMGData, e.g.
47 * to know vector<double> is forces or energy_eigenvalues.
48 *
49 */
50typedef boost::fusion::map<
[67fec1]51 boost::fusion::pair<VMGDataFused::electron_longrange, double >,
52 boost::fusion::pair<VMGDataFused::electron_shortrange, double >,
53 boost::fusion::pair<VMGDataFused::nuclei_longrange, double >,
54 boost::fusion::pair<VMGDataFused::nuclei_shortrange, double >,
55 boost::fusion::pair<VMGDataFused::total_longrange, double >,
56 boost::fusion::pair<VMGDataFused::total_shortrange, double >
[a2295a]57> VMGDataLongRangeMap_t;
58
59typedef boost::mpl::list<
[67fec1]60 VMGDataFused::electron_longrange,
61 VMGDataFused::electron_shortrange,
62 VMGDataFused::nuclei_longrange,
63 VMGDataFused::nuclei_shortrange,
64 VMGDataFused::total_longrange,
65 VMGDataFused::total_shortrange
[a2295a]66> VMGDataLongRangeVector_t;
67
[358ddb]68
69#endif /* VMGDATAMAP_HPP_ */
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