Changeset 1f66c7
- Timestamp:
- Nov 12, 2012, 4:04:54 PM (12 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:
- dde8ec
- Parents:
- 286e36
- git-author:
- Frederik Heber <heber@…> (07/30/12 08:54:19)
- git-committer:
- Frederik Heber <heber@…> (11/12/12 16:04:54)
- Location:
- src
- Files:
-
- 1 added
- 4 edited
- 1 moved
Legend:
- Unmodified
- Added
- Removed
-
src/Actions/FragmentationAction/FragmentationAutomationAction.cpp
r286e36 r1f66c7 59 59 #include "Jobs/MPQCJob.hpp" 60 60 #include "Jobs/MPQCData.hpp" 61 #include "Jobs/MPQCData_print Name.hpp"61 #include "Jobs/MPQCData_printKeyNames.hpp" 62 62 #include "molecule.hpp" 63 63 #include "World.hpp" -
src/Fragmentation/Summation/Makefile.am
r286e36 r1f66c7 11 11 Fragmentation/Summation/OrthogonalSummation.hpp \ 12 12 Fragmentation/Summation/OrthogonalSummation_impl.hpp \ 13 Fragmentation/Summation/printKeyNames.hpp \ 13 14 Fragmentation/Summation/printSum.hpp \ 14 15 Fragmentation/Summation/SetValue.hpp \ -
src/Fragmentation/Summation/printSum.hpp
r286e36 r1f66c7 20 20 #include "Fragmentation/Summation/Summator.hpp" 21 21 22 /** Specific namespace for all the specialized template functions that print 23 * a useful name for each of the boost::fusion::map key. 24 */ 25 namespace FusionKeyNames { 22 #include "Fragmentation/Summation/printKeyNames.hpp" 26 23 27 /** This function needs to be specialized for every member variable in your28 * boost::fusion::map of values to sum up each such that it prints the name29 * of the member variable.30 *31 * By default, we just return an empty string.32 */33 template <typename T> std::string printName() {34 return std::string();35 };36 37 }38 24 /** Tiny template functor to use OrthogonalSummation, sum up and print the result. 39 25 * … … 80 66 MapValue value = sum_value(); 81 67 // print value 82 LOG(0, "STATUS: Resulting " << FusionKeyNames::printName<MapKey>() << " is " << value << ".");68 LOG(0, "STATUS: Resulting " << printKeyNames::printName<MapKey>() << " is " << value << "."); 83 69 } 84 70 -
src/Jobs/MPQCData_printKeyNames.hpp
r286e36 r1f66c7 1 1 /* 2 * MPQCData_print Name.hpp2 * MPQCData_printKeyNames.hpp 3 3 * 4 4 * Created on: 28.07.2012 … … 6 6 */ 7 7 8 #ifndef MPQCDATA_PRINT NAME_HPP_9 #define MPQCDATA_PRINT NAME_HPP_8 #ifndef MPQCDATA_PRINTKEYNAMES_HPP_ 9 #define MPQCDATA_PRINTKEYNAMES_HPP_ 10 10 11 11 // include config.h … … 27 27 * Basically, every key appears here in brackets. If so, then the preprocessor magic 28 28 * below will create a template specialization of the printName() function in the 29 * namespace FusionKeyNames.29 * namespace printKeyNames. 30 30 */ 31 31 #define tokensequence \ … … 60 60 * a useful name for each of the boost::fusion::map key. 61 61 */ 62 namespace FusionKeyNames {62 namespace printKeyNames { 63 63 /* iterate (line-wise) over the sequence and spill out a specialized printName 64 64 * for each member in the boost::fusion::map. … … 70 70 #endif 71 71 72 }; /* namespace FusionKeyNames */72 }; /* namespace printKeyNames */ 73 73 74 74 #undef tokensequence … … 77 77 #undef MAXTOKENS 78 78 79 #endif /* MPQCDATA_PRINT NAME_HPP_ */79 #endif /* MPQCDATA_PRINTKEYNAMES_HPP_ */ -
src/Jobs/Makefile.am
r286e36 r1f66c7 12 12 Jobs/MPQCDataFused.hpp \ 13 13 Jobs/MPQCDataMap.hpp \ 14 Jobs/MPQCData_print Name.hpp \14 Jobs/MPQCData_printKeyNames.hpp \ 15 15 Jobs/MPQCJob.hpp 16 16
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