source: src/Jobs/VMGDebugGridJob.hpp@ 48d20d

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Last change on this file since 48d20d 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: 1.7 KB
Line 
1/*
2 * VMGDebugGridJob.hpp
3 *
4 * Created on: Aug 31, 2012
5 * Author: heber
6 */
7
8#ifndef VMGDEBUGGRIDJOB_HPP_
9#define VMGDEBUGGRIDJOB_HPP_
10
11
12// include config.h
13#ifdef HAVE_CONFIG_H
14#include <config.h>
15#endif
16
17#include "boost/serialization/export.hpp"
18#include "boost/serialization/vector.hpp"
19
20#include "JobMarket/Jobs/FragmentJob.hpp"
21#include "Fragmentation/Summation/SetValues/SamplingGrid.hpp"
22
23#include <vector>
24
25/** This class encapsulates a Debug Grid Job.
26 *
27 * VMGDebugGridJob just stores the sampled grid into a VMG job and lets VMG
28 * print the grid in a VTK compatible format to make use of its grid_viewer
29 * for debugging purposes.
30 *
31 */
32class VMGDebugGridJob : public FragmentJob
33{
34public:
35 /** Constructor for class VMGDebugGridJob.
36 *
37 * @param _JobId id of the job
38 * @param _density_grid sampled electron charge density from short-range solutions
39 */
40 VMGDebugGridJob(const JobId_t _JobId,
41 const SamplingGrid &density_grid);
42 virtual ~VMGDebugGridJob();
43
44 FragmentResult::ptr Work();
45
46private:
47 void InitVMG();
48
49private:
50 //!> sampled density required as input
51 const SamplingGrid density_grid;
52
53private:
54 /** private default cstor for serialization only
55 */
56 VMGDebugGridJob();
57
58 friend class boost::serialization::access;
59 // serialization
60 template <typename Archive>
61 void serialize(Archive& ar, const unsigned int version)
62 {
63 ar & boost::serialization::base_object<FragmentJob>(*this);
64 ar & const_cast< SamplingGrid &>(density_grid);
65 }
66};
67
68// we need to give this class a unique key for serialization
69// its is only serialized through its base class FragmentJob
70BOOST_CLASS_EXPORT_KEY(VMGDebugGridJob)
71
72#endif /* VMGDEBUGGRIDJOB_HPP_ */
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