Ignore:
Timestamp:
Dec 16, 2010, 5:32:22 PM (14 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:
17c1a8
Parents:
92d756
git-author:
Frederik Heber <heber@…> (12/07/10 22:23:03)
git-committer:
Frederik Heber <heber@…> (12/16/10 17:32:22)
Message:

Splitted SelectionAction modules into two groups - atoms, molecules - and each into a subfolder.

  • had to adapt includes in all .cpp files as they contained some stupid relative path.
  • This is sensible as there are quite a large amount of SelectionActions and it is hard to discern the ones which select atoms and which select molecules.
File:
1 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/Makefile.am

    r92d756 r125002  
    1515  ${MOLECULEACTIONSOURCE} \
    1616  ${PARSERACTIONSOURCE} \
    17   ${SELECTIONACTIONSOURCE} \
     17  ${SELECTIONATOMACTIONSOURCE} \
     18  ${SELECTIONMOLECULEACTIONSOURCE} \
    1819  ${TESSELATIONACTIONSOURCE} \
    1920  ${WORLDACTIONSOURCE} \
    … …  
    2930  ${MOLECULEACTIONHEADER} \
    3031  ${PARSERACTIONHEADER} \
    31   ${SELECTIONACTIONHEADER} \
     32  ${SELECTIONATOMACTIONHEADER} \
     33  ${SELECTIONMOLECULEACTIONHEADER} \
    3234  ${TESSELATIONACTIONHEADER} \
    3335  ${WORLDACTIONHEADER} \
    … …  
    122124  MoleculeAction/VerletIntegrationAction.hpp
    123125                 
    124 SELECTIONACTIONSOURCE = \
    125         SelectionAction/AllAtomsAction.cpp \
    126         SelectionAction/AllAtomsInsideCuboidAction.cpp \
    127         SelectionAction/AllAtomsInsideSphereAction.cpp \
    128         SelectionAction/AllAtomsOfMoleculeAction.cpp \
    129         SelectionAction/AllMoleculesAction.cpp \
    130         SelectionAction/AtomByElementAction.cpp \
    131         SelectionAction/AtomByIdAction.cpp \
    132         SelectionAction/ClearAllAtomsAction.cpp \
    133         SelectionAction/ClearAllMoleculesAction.cpp \
    134         SelectionAction/MoleculeByFormulaAction.cpp \
    135         SelectionAction/MoleculeByIdAction.cpp \
    136         SelectionAction/MoleculeByNameAction.cpp \
    137         SelectionAction/MoleculeByOrderAction.cpp \
    138         SelectionAction/MoleculeOfAtomAction.cpp \
    139         SelectionAction/NotAllAtomsAction.cpp \
    140         SelectionAction/NotAllAtomsInsideCuboidAction.cpp \
    141         SelectionAction/NotAllAtomsInsideSphereAction.cpp \
    142         SelectionAction/NotAllAtomsOfMoleculeAction.cpp \
    143         SelectionAction/NotAllMoleculesAction.cpp \
    144         SelectionAction/NotAtomByElementAction.cpp \
    145         SelectionAction/NotAtomByIdAction.cpp \
    146         SelectionAction/NotMoleculeByFormulaAction.cpp \
    147         SelectionAction/NotMoleculeByIdAction.cpp \
    148         SelectionAction/NotMoleculeByNameAction.cpp \
    149         SelectionAction/NotMoleculeByOrderAction.cpp \
    150         SelectionAction/NotMoleculeOfAtomAction.cpp
    151 SELECTIONACTIONHEADER = \
    152         SelectionAction/AllAtomsAction.hpp \
    153         SelectionAction/AllAtomsInsideCuboidAction.hpp \
    154         SelectionAction/AllAtomsInsideSphereAction.hpp \
    155         SelectionAction/AllAtomsOfMoleculeAction.hpp \
    156         SelectionAction/AllMoleculesAction.hpp \
    157         SelectionAction/AtomByElementAction.hpp \
    158         SelectionAction/AtomByIdAction.hpp \
    159         SelectionAction/ClearAllAtomsAction.hpp \
    160         SelectionAction/ClearAllMoleculesAction.hpp \
    161         SelectionAction/MoleculeByFormulaAction.hpp \
    162         SelectionAction/MoleculeByIdAction.hpp \
    163         SelectionAction/MoleculeByNameAction.hpp \
    164         SelectionAction/MoleculeByOrderAction.hpp \
    165         SelectionAction/MoleculeOfAtomAction.hpp \
    166         SelectionAction/NotAllAtomsAction.hpp \
    167         SelectionAction/NotAllAtomsInsideCuboidAction.hpp \
    168         SelectionAction/NotAllAtomsInsideSphereAction.hpp \
    169         SelectionAction/NotAllAtomsOfMoleculeAction.hpp \
    170         SelectionAction/NotAllMoleculesAction.hpp \
    171         SelectionAction/NotAtomByElementAction.hpp \
    172         SelectionAction/NotAtomByIdAction.hpp \
    173         SelectionAction/NotMoleculeByFormulaAction.hpp \
    174         SelectionAction/NotMoleculeByIdAction.hpp \
    175         SelectionAction/NotMoleculeByNameAction.hpp \
    176         SelectionAction/NotMoleculeByOrderAction.hpp \
    177         SelectionAction/NotMoleculeOfAtomAction.hpp
    178 
     126SELECTIONATOMACTIONSOURCE = \
     127        SelectionAction/Atoms/AllAtomsAction.cpp \
     128        SelectionAction/Atoms/AllAtomsInsideCuboidAction.cpp \
     129        SelectionAction/Atoms/AllAtomsInsideSphereAction.cpp \
     130        SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp \
     131        SelectionAction/Atoms/AtomByElementAction.cpp \
     132        SelectionAction/Atoms/AtomByIdAction.cpp \
     133        SelectionAction/Atoms/ClearAllAtomsAction.cpp \
     134        SelectionAction/Atoms/NotAllAtomsAction.cpp \
     135        SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.cpp \
     136        SelectionAction/Atoms/NotAllAtomsInsideSphereAction.cpp \
     137        SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp \
     138        SelectionAction/Atoms/NotAtomByElementAction.cpp \
     139        SelectionAction/Atoms/NotAtomByIdAction.cpp
     140SELECTIONATOMACTIONHEADER = \
     141        SelectionAction/Atoms/AllAtomsAction.hpp \
     142        SelectionAction/Atoms/AllAtomsInsideCuboidAction.hpp \
     143        SelectionAction/Atoms/AllAtomsInsideSphereAction.hpp \
     144        SelectionAction/Atoms/AllAtomsOfMoleculeAction.hpp \
     145        SelectionAction/Atoms/AtomByElementAction.hpp \
     146        SelectionAction/Atoms/AtomByIdAction.hpp \
     147        SelectionAction/Atoms/ClearAllAtomsAction.hpp \
     148        SelectionAction/Atoms/NotAllAtomsAction.hpp \
     149        SelectionAction/Atoms/NotAllAtomsInsideCuboidAction.hpp \
     150        SelectionAction/Atoms/NotAllAtomsInsideSphereAction.hpp \
     151        SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.hpp \
     152        SelectionAction/Atoms/NotAtomByElementAction.hpp \
     153        SelectionAction/Atoms/NotAtomByIdAction.hpp
     154
     155SELECTIONMOLECULEACTIONSOURCE = \
     156        SelectionAction/Molecules/AllMoleculesAction.cpp \
     157        SelectionAction/Molecules/ClearAllMoleculesAction.cpp \
     158        SelectionAction/Molecules/MoleculeByFormulaAction.cpp \
     159        SelectionAction/Molecules/MoleculeByIdAction.cpp \
     160        SelectionAction/Molecules/MoleculeByNameAction.cpp \
     161        SelectionAction/Molecules/MoleculeByOrderAction.cpp \
     162        SelectionAction/Molecules/MoleculeOfAtomAction.cpp \
     163        SelectionAction/Molecules/NotAllMoleculesAction.cpp \
     164        SelectionAction/Molecules/NotMoleculeByFormulaAction.cpp \
     165        SelectionAction/Molecules/NotMoleculeByIdAction.cpp \
     166        SelectionAction/Molecules/NotMoleculeByNameAction.cpp \
     167        SelectionAction/Molecules/NotMoleculeByOrderAction.cpp \
     168        SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp
     169SELECTIONMOLECULEACTIONHEADER = \
     170        SelectionAction/Molecules/AllMoleculesAction.hpp \
     171        SelectionAction/Molecules/ClearAllMoleculesAction.hpp \
     172        SelectionAction/Molecules/MoleculeByFormulaAction.hpp \
     173        SelectionAction/Molecules/MoleculeByIdAction.hpp \
     174        SelectionAction/Molecules/MoleculeByNameAction.hpp \
     175        SelectionAction/Molecules/MoleculeByOrderAction.hpp \
     176        SelectionAction/Molecules/MoleculeOfAtomAction.hpp \
     177        SelectionAction/Molecules/NotAllMoleculesAction.hpp \
     178        SelectionAction/Molecules/NotMoleculeByFormulaAction.hpp \
     179        SelectionAction/Molecules/NotMoleculeByIdAction.hpp \
     180        SelectionAction/Molecules/NotMoleculeByNameAction.hpp \
     181        SelectionAction/Molecules/NotMoleculeByOrderAction.hpp \
     182        SelectionAction/Molecules/NotMoleculeOfAtomAction.hpp
     183       
    179184TESSELATIONACTIONSOURCE = \
    180185  TesselationAction/ConvexEnvelopeAction.cpp \
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