| [238868] | 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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| [fbf143] | 21 | #include "Fragmentation/Summation/SetValues/SamplingGrid.hpp" | 
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| [238868] | 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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| [f6c19d] | 39 | * @param OpenBoundaryConditions states whether we have open (true) or periodic | 
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|  | 40 | *        (false) boundary conditions | 
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| [238868] | 41 | */ | 
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|  | 42 | VMGDebugGridJob(const JobId_t _JobId, | 
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| [f6c19d] | 43 | const SamplingGrid &density_grid, | 
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|  | 44 | const bool _OpenBoundaryConditions = false); | 
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| [238868] | 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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| [f6c19d] | 55 | //!> states whether we have open (true) or periodic (false) boundary conditions | 
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|  | 56 | const bool OpenBoundaryConditions; | 
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| [238868] | 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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