source: src/Jobs/MPQCJob.hpp@ 7b0494

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Last change on this file since 7b0494 was 7b0494, checked in by Frederik Heber <heber@…>, 12 years ago

Moved SamplingGrid... over to Fragmentation/SetValues.

  • adapted all includes accordingly.
  • libMolecuilderSetvalues is now shared.
  • the dependency was wrong so far. Jobs are intimately attached to the JobMarket (as are Fragmentation/Automation's controllers) but the grid stuff is just another setvalue that stands on its own. Hence, stuff in Jobs may depend on modules in Fragmentation.
  • Property mode set to 100644
File size: 1.5 KB
Line 
1/*
2 * MPQCJob.hpp
3 *
4 * Created on: Jul 10, 2012
5 * Author: heber
6 */
7
8#ifndef MPQCJOB_HPP_
9#define MPQCJOB_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
19#include "JobMarket/Jobs/FragmentJob.hpp"
20
21#include "Fragmentation/SetValues/SamplingGridProperties.hpp"
22#include "Jobs/MPQCData.hpp"
23
24#include <string>
25
26/** This class encapsulates a MPQC Job.
27 *
28 */
29class MPQCJob : public FragmentJob
30{
31public:
32 MPQCJob(
33 const JobId_t _JobId,
34 const std::string &_inputfile,
35 const double _begin[3],
36 const double _end[3],
37 const int _level);
38 virtual ~MPQCJob();
39
40 FragmentResult::ptr Work();
41
42 //!> whether to actually sample the density
43 MPQCData::DoLongrange_t DoLongrange;
44
45private:
46 //!> contents of inputfile
47 const std::string inputfile;
48 //!> information for how to sample the density
49 const SamplingGridProperties grid;
50
51private:
52 /** private default cstor for serialization only
53 */
54 MPQCJob();
55
56 friend class boost::serialization::access;
57 // serialization
58 template <typename Archive>
59 void serialize(Archive& ar, const unsigned int version)
60 {
61 ar & boost::serialization::base_object<FragmentJob>(*this);
62 ar & DoLongrange;
63 ar & const_cast<std::string &>(inputfile);
64 ar & const_cast<SamplingGridProperties &>(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(MPQCJob)
71
72#endif /* MPQCJOB_HPP_ */
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