Changeset a498c1
- Timestamp:
- Jun 27, 2014, 9:32:55 PM (11 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
- Children:
- c3de51
- Parents:
- d4eaf1
- git-author:
- Frederik Heber <heber@…> (04/22/14 16:11:59)
- git-committer:
- Frederik Heber <heber@…> (06/27/14 21:32:55)
- Location:
- src/Fragmentation/Automation
- Files:
-
- 2 added
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
src/Fragmentation/Automation/Makefile.am
rd4eaf1 ra498c1 16 16 Fragmentation/Automation/FragmentJobQueue.hpp \ 17 17 Fragmentation/Automation/MPQCFragmentController.hpp \ 18 Fragmentation/Automation/ResultContainer.hpp \ 19 Fragmentation/Automation/ResultContainer_impl.hpp \ 18 20 Fragmentation/Automation/SpecificFragmentController.hpp \ 19 21 Fragmentation/Automation/SpecificFragmentController_ReceiveResultContainer_impl.hpp -
src/Fragmentation/Automation/SpecificFragmentController.hpp
rd4eaf1 ra498c1 23 23 #include <string> 24 24 #include <vector> 25 26 #include "Fragmentation/Automation/ResultContainer.hpp" 25 27 26 28 /** This class extends FragmentController by some commodity functions used … … 58 60 * This struct takes of the waiting. 59 61 * 62 * We extend ResultContainer by functions to receive results from a 63 * JobMarket server. 64 * 60 65 */ 61 66 template <typename T> 62 struct ReceiveResultContainer {67 struct ReceiveResultContainer : public ResultContainer<T> { 63 68 /** cycle to wait for results 64 69 * … … 78 83 */ 79 84 size_t receiveResults(SpecificFragmentController &callback); 80 81 /** Inserts FragmentResult's into IdData.82 *83 * \param results raw results to insert, containing ids84 * \param fragmentData converted results to insert, containing data85 */86 void insertResults(87 const std::vector<FragmentResult::ptr> &results,88 std::vector<T> &fragmentData);89 90 /** Extracts specific Data type from received vector of FragmentResults.91 *92 * @param results results to extract specific Data type from93 * @param fragmentData on return array filled with extracted specific Data type94 */95 void ConvertFragmentResultTo(96 const std::vector<FragmentResult::ptr> &results,97 std::vector<T> &fragmentData) const;98 99 /** Clears all internally stored results.100 *101 */102 void clear()103 { IdData.clear(); }104 105 //!> internal container for the received data106 std::map<JobId_t, T> IdData;107 85 }; 108 86 -
src/Fragmentation/Automation/SpecificFragmentController_ReceiveResultContainer_impl.hpp
rd4eaf1 ra498c1 68 68 } 69 69 70 template <typename T>71 void SpecificFragmentController::ReceiveResultContainer<T>::ConvertFragmentResultTo(72 const std::vector<FragmentResult::ptr> &results,73 std::vector<T> &fragmentData) const74 {75 // extract results76 fragmentData.clear();77 fragmentData.reserve(results.size());78 79 LOG(2, "DEBUG: Parsing now through " << results.size() << " results.");80 for (std::vector<FragmentResult::ptr>::const_iterator iter = results.begin();81 iter != results.end(); ++iter) {82 //LOG(1, "RESULT: job #"+toString((*iter)->getId())+": "+toString((*iter)->result));83 T extractedData;84 std::stringstream inputstream((*iter)->result);85 LOG(2, "DEBUG: First 50 characters FragmentResult's string: "+(*iter)->result.substr(0, 50));86 boost::archive::text_iarchive ia(inputstream);87 ia >> extractedData;88 LOG(1, "INFO: extracted data is " << extractedData << ".");89 fragmentData.push_back(extractedData);90 }91 92 ASSERT( results.size() == fragmentData.size(),93 "ConvertFragmentResultTo() - the number of extracted data differs from the number of results.");94 }95 96 template <typename T>97 void SpecificFragmentController::ReceiveResultContainer<T>::insertResults(98 const std::vector<FragmentResult::ptr> &fragmentresults,99 std::vector<T> &fragmentData)100 {101 std::vector<FragmentResult::ptr>::const_iterator resultiter = fragmentresults.begin();102 typename std::vector<T>::const_iterator dataiter = fragmentData.begin();103 for(;resultiter != fragmentresults.end(); ++resultiter, ++dataiter) {104 const JobId_t _id = (*resultiter)->getId();105 #ifndef NDEBUG106 std::pair<typename std::map<JobId_t, T>::iterator, bool> inserter =107 #endif108 IdData.insert( std::make_pair( _id, *dataiter) );109 ASSERT( inserter.second,110 "ReceiveResultContainer::insertResults() - result id "111 +toString(inserter.first->first)+" already present.");112 }113 ASSERT( dataiter == fragmentData.end(),114 "ReceiveResultContainer::insertResults() - fragmentresults and fragmentdata differ in size.");115 }116 117 118 70 #endif /* SPECIFICFRAGMENTCONTROLLER_RECEIVERESULTCONTAINER_IMPL_HPP_ */
Note:
See TracChangeset
for help on using the changeset viewer.