Changeset 16893f for src


Ignore:
Timestamp:
Oct 17, 2013, 7:24:25 AM (11 years ago)
Author:
Frederik Heber <heber@…>
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:
174f8b
Parents:
c8d13f5
git-author:
Frederik Heber <heber@…> (09/28/13 10:50:13)
git-committer:
Frederik Heber <heber@…> (10/17/13 07:24:25)
Message:

Added ClearFragmentationResultsAction.

Location:
src/Actions
Files:
3 added
3 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp

    rc8d13f5 r16893f  
    22 * Project: MoleCuilder
    33 * Description: creates and alters molecular systems
    4  * Copyright (C)  2013 University of Bonn. All rights reserved.
     4 * Copyright (C)  2012 University of Bonn. All rights reserved.
    55 * Copyright (C)  2013 Frederik Heber. All rights reserved.
    66 *
    … …  
    648648#endif
    649649
    650   container.clear();
     650  // we no longer clear the container
     651//  container.clear();
    651652
    652653  return Action::success;

  • src/Actions/GlobalListOfActions.hpp

    rc8d13f5 r16893f  
    125125  (SelectionNotShapeByName) \
    126126  (FragmentationAnalyseFragmentationResults) \
     127  (FragmentationClearFragmentationResults) \
    127128  (FragmentationFragmentation) \
    128129  (FragmentationStoreSaturatedFragment) \

  • src/Actions/Makefile.am

    rc8d13f5 r16893f  
    231231FRAGMENTATIONACTIONSOURCE = \
    232232  Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp \
     233  Actions/FragmentationAction/ClearFragmentationResultsAction.cpp \
    233234  Actions/FragmentationAction/FragmentationAction.cpp \
    234235  Actions/FragmentationAction/StoreSaturatedFragmentAction.cpp
    235236FRAGMENTATIONACTIONHEADER = \
    236237  Actions/FragmentationAction/AnalyseFragmentationResultsAction.hpp \
     238  Actions/FragmentationAction/ClearFragmentationResultsAction.hpp \
    237239  Actions/FragmentationAction/FragmentationAction.hpp \
    238240  Actions/FragmentationAction/StoreSaturatedFragmentAction.hpp
    239241FRAGMENTATIONACTIONDEFS = \
    240242  Actions/FragmentationAction/AnalyseFragmentationResultsAction.def \
     243  Actions/FragmentationAction/ClearFragmentationResultsAction.def \
    241244  Actions/FragmentationAction/FragmentationAction.def \
    242245  Actions/FragmentationAction/StoreSaturatedFragmentAction.def
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