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
        Candidate_v1.7.0
        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
      
      
        
          | 
            Last change
 on this file since 38f991 was             d70fff, checked in by Frederik Heber <heber@…>, 14 years ago           | 
        
        
          | 
             
Split off Unselections from selections in Selection/Molecules. 
 
- each testsuite*.at file now just has a single test (including undo/redo).
 - renamed testsuite*.at files: added missing "select-" such that full action
name is contained in filename.
  
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          | 
            File size:
            1.7 KB
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| Rev | Line |   | 
|---|
| [170ba6] | 1 | AT_BANNER([MoleCuilder - Molecule selections])
 | 
|---|
 | 2 | 
 | 
|---|
 | 3 | ### Molecules ###
 | 
|---|
 | 4 | 
 | 
|---|
 | 5 | # (un)select all molecules
 | 
|---|
| [d70fff] | 6 | m4_include(Selection/Molecules/AllMolecules/testsuite-selection-select-all-molecules.at)
 | 
|---|
 | 7 | m4_include(Selection/Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at)
 | 
|---|
| [170ba6] | 8 | 
 | 
|---|
 | 9 | # clear molecule selection
 | 
|---|
 | 10 | m4_include(Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at)
 | 
|---|
 | 11 | 
 | 
|---|
 | 12 | # (un)select molecules by formula
 | 
|---|
| [d70fff] | 13 | m4_include(Selection/Molecules/MoleculeByFormula/testsuite-selection-select-molecules-by-formula.at)
 | 
|---|
 | 14 | m4_include(Selection/Molecules/MoleculeByFormula/testsuite-selection-unselect-molecules-by-formula.at)
 | 
|---|
| [170ba6] | 15 | 
 | 
|---|
 | 16 | # (un)select molecule by id
 | 
|---|
| [d70fff] | 17 | m4_include(Selection/Molecules/MoleculeById/testsuite-selection-select-molecule-by-id.at)
 | 
|---|
 | 18 | m4_include(Selection/Molecules/MoleculeById/testsuite-selection-unselect-molecule-by-id.at)
 | 
|---|
| [170ba6] | 19 | 
 | 
|---|
 | 20 | # (un)select molecule by name
 | 
|---|
| [d70fff] | 21 | m4_include(Selection/Molecules/MoleculeByName/testsuite-selection-select-molecules-by-name.at)
 | 
|---|
 | 22 | m4_include(Selection/Molecules/MoleculeByName/testsuite-selection-unselect-molecules-by-name.at)
 | 
|---|
| [170ba6] | 23 | 
 | 
|---|
 | 24 | # (un)select molecule by order
 | 
|---|
| [d70fff] | 25 | m4_include(Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-backward.at)
 | 
|---|
 | 26 | m4_include(Selection/Molecules/MoleculeByOrder/testsuite-selection-select-molecule-by-order-forward.at)
 | 
|---|
 | 27 | m4_include(Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-backward.at)
 | 
|---|
 | 28 | m4_include(Selection/Molecules/MoleculeByOrder/testsuite-selection-unselect-molecule-by-order-forward.at)
 | 
|---|
| [170ba6] | 29 | 
 | 
|---|
 | 30 | # (un)select molecule from atom selection
 | 
|---|
| [d70fff] | 31 | m4_include(Selection/Molecules/MoleculeOfAtom/testsuite-selection-select-atoms-molecules.at)
 | 
|---|
 | 32 | m4_include(Selection/Molecules/MoleculeOfAtom/testsuite-selection-unselect-atoms-molecules.at)
 | 
|---|
       
      
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