Adding_MD_integration_tests
        Adding_StructOpt_integration_tests
        AutomationFragmentation_failures
        Candidate_v1.6.1
        Candidate_v1.7.0
        ChemicalSpaceEvaluator
        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Exclude_Hydrogens_annealWithBondGraph
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_contraction-expansion
        Gui_displays_atomic_force_velocity
        JobMarket_RobustOnKillsSegFaults
        JobMarket_StableWorkerPool
        PythonUI_with_named_parameters
        StoppableMakroAction
        TremoloParser_IncreasedPrecision
        stable
      
      
      
| Rev | Line |  | 
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| [238868] | 1 | /* | 
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|  | 2 | * VMGDebugGridFragmentController.hpp | 
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|  | 3 | * | 
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|  | 4 | *  Created on: Aug 27, 2012 | 
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|  | 5 | *      Author: heber | 
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|  | 6 | */ | 
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|  | 7 |  | 
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|  | 8 | #ifndef VMGDEBUGGRIDFRAGMENTCONTROLLER_HPP_ | 
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|  | 9 | #define VMGDEBUGGRIDFRAGMENTCONTROLLER_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 "Fragmentation/Automation/SpecificFragmentController.hpp" | 
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|  | 18 |  | 
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|  | 19 | #include <map> | 
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|  | 20 | #include <string> | 
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|  | 21 | #include <vector> | 
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|  | 22 |  | 
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| [8e84fe] | 23 | #include "JobMarket/types.hpp" | 
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| [238868] | 24 |  | 
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| [fbf143] | 25 | #include "Fragmentation/Summation/SetValues/Fragment.hpp" | 
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|  | 26 | #include "Fragmentation/Summation/SetValues/SamplingGrid.hpp" | 
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|  | 27 | #include "Fragmentation/Summation/Containers/MPQCData.hpp" | 
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|  | 28 | #include "Fragmentation/Summation/Containers/VMGData.hpp" | 
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| [238868] | 29 |  | 
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|  | 30 | /** This class uses SpecificFragmentController with functions to add specificly | 
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|  | 31 | * VMGJobs. | 
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|  | 32 | */ | 
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|  | 33 | class VMGDebugGridFragmentController : public SpecificFragmentController | 
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|  | 34 | { | 
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|  | 35 | public: | 
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|  | 36 | VMGDebugGridFragmentController(boost::asio::io_service &io_service) : | 
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|  | 37 | SpecificFragmentController(io_service) | 
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|  | 38 | {} | 
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|  | 39 | virtual ~VMGDebugGridFragmentController() | 
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|  | 40 | {} | 
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|  | 41 |  | 
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|  | 42 | bool createDebugJobs( | 
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| [f6c19d] | 43 | const std::vector<SamplingGrid> &full_sampled_grid, | 
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|  | 44 | const bool _OpenBoundaryConditions = false); | 
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| [238868] | 45 |  | 
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| [732507] | 46 | void waitforResults(const size_t NoExpectedResults) | 
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|  | 47 | { results.waitforResults(NoExpectedResults, io_service, *this); } | 
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|  | 48 |  | 
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| [238868] | 49 | // there are no results but server has empty string nonetheless | 
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|  | 50 | void getResults(std::map<JobId_t, std::string> &fragmentData) { | 
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| [732507] | 51 | fragmentData = results.IdData; | 
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|  | 52 | results.clear(); | 
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| [238868] | 53 | } | 
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| [732507] | 54 |  | 
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|  | 55 | private: | 
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|  | 56 | //!> type-specific result container | 
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| [d4eaf1] | 57 | SpecificFragmentController::ReceiveResultContainer<std::string> results; | 
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| [238868] | 58 | }; | 
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|  | 59 |  | 
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|  | 60 |  | 
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|  | 61 | #endif /* VMGDEBUGGRIDFRAGMENTCONTROLLER_HPP_ */ | 
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