1 | /*
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2 | * VMGDebugGridJob.hpp
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3 | *
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4 | * Created on: Aug 31, 2012
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef VMGDEBUGGRIDJOB_HPP_
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9 | #define VMGDEBUGGRIDJOB_HPP_
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10 |
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11 |
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12 | // include config.h
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13 | #ifdef HAVE_CONFIG_H
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14 | #include <config.h>
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15 | #endif
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16 |
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17 | #include "boost/serialization/export.hpp"
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18 | #include "boost/serialization/vector.hpp"
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19 |
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20 | #include "JobMarket/Jobs/FragmentJob.hpp"
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21 | #include "Fragmentation/Summation/SetValues/SamplingGrid.hpp"
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22 |
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23 | #include <vector>
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24 |
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25 | /** This class encapsulates a Debug Grid Job.
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26 | *
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27 | * VMGDebugGridJob just stores the sampled grid into a VMG job and lets VMG
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28 | * print the grid in a VTK compatible format to make use of its grid_viewer
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29 | * for debugging purposes.
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30 | *
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31 | */
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32 | class VMGDebugGridJob : public FragmentJob
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33 | {
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34 | public:
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35 | /** Constructor for class VMGDebugGridJob.
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36 | *
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37 | * @param _JobId id of the job
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38 | * @param _density_grid sampled electron charge density from short-range solutions
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39 | * @param OpenBoundaryConditions states whether we have open (true) or periodic
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40 | * (false) boundary conditions
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41 | */
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42 | VMGDebugGridJob(const JobId_t _JobId,
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43 | const SamplingGrid &density_grid,
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44 | const bool _OpenBoundaryConditions = false);
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45 | virtual ~VMGDebugGridJob();
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46 |
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47 | FragmentResult::ptr Work();
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48 |
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49 | private:
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50 | void InitVMG();
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51 |
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52 | private:
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53 | //!> sampled density required as input
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54 | const SamplingGrid density_grid;
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55 | //!> states whether we have open (true) or periodic (false) boundary conditions
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56 | const bool OpenBoundaryConditions;
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57 |
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58 | private:
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59 | /** private default cstor for serialization only
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60 | */
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61 | VMGDebugGridJob();
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62 |
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63 | friend class boost::serialization::access;
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64 | // serialization
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65 | template <typename Archive>
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66 | void serialize(Archive& ar, const unsigned int version)
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67 | {
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68 | ar & boost::serialization::base_object<FragmentJob>(*this);
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69 | ar & const_cast< SamplingGrid &>(density_grid);
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70 | }
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71 | };
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72 |
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73 | // we need to give this class a unique key for serialization
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74 | // its is only serialized through its base class FragmentJob
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75 | BOOST_CLASS_EXPORT_KEY(VMGDebugGridJob)
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76 |
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77 | #endif /* VMGDEBUGGRIDJOB_HPP_ */
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