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
|
Last change
on this file since f2872a was f2872a, checked in by Frederik Heber <heber@…>, 13 years ago |
|
Split off Unselections from selections in Selection/Atoms.
- 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.
|
-
Property mode
set to
100644
|
|
File size:
1.5 KB
|
| Line | |
|---|
| 1 | AT_BANNER([MoleCuilder - Atom selections])
|
|---|
| 2 |
|
|---|
| 3 | ### ATOMS ####
|
|---|
| 4 |
|
|---|
| 5 | # (un)select all atoms
|
|---|
| 6 | m4_include(Selection/Atoms/AllAtoms/testsuite-selection-select-all-atoms.at)
|
|---|
| 7 | m4_include(Selection/Atoms/AllAtoms/testsuite-selection-unselect-all-atoms.at)
|
|---|
| 8 |
|
|---|
| 9 | # (un)select all atoms of molecule
|
|---|
| 10 | m4_include(Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-select-all-atoms-of-molecule.at)
|
|---|
| 11 | m4_include(Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-unselect-all-atoms-of-molecule.at)
|
|---|
| 12 |
|
|---|
| 13 | # (un)select atoms by element
|
|---|
| 14 | m4_include(Selection/Atoms/AtomByElement/testsuite-selection-select-atoms-by-element.at)
|
|---|
| 15 | m4_include(Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at)
|
|---|
| 16 |
|
|---|
| 17 | # (un)select atom by id
|
|---|
| 18 | m4_include(Selection/Atoms/AtomById/testsuite-selection-select-atom-by-id.at)
|
|---|
| 19 | m4_include(Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at)
|
|---|
| 20 |
|
|---|
| 21 | # (un)select atoms inside cuboid
|
|---|
| 22 | m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid.at)
|
|---|
| 23 | m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-select-atoms-inside-cuboid-with-defaults.at)
|
|---|
| 24 | m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-unselect-atoms-inside-cuboid.at)
|
|---|
| 25 |
|
|---|
| 26 | # (un)select atoms inside sphere
|
|---|
| 27 | m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-select-atoms-inside-sphere.at)
|
|---|
| 28 | m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-unselect-atoms-inside-sphere.at)
|
|---|
| 29 |
|
|---|
| 30 | # clear atom selection
|
|---|
| 31 | m4_include(Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at)
|
|---|
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