source: tests/regression/Selection/testsuite-selection.at@ c9bc2b7

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 c9bc2b7 was c77ac8, checked in by Frederik Heber <heber@…>, 15 years ago

Added regression test for each SelectionAction on molecules.

  • new subfolder Selection/Molecules.
  • contains a testsuite-selection-....at per selection present.
  • extensive and very well checked tests.
  • Property mode set to 100644
File size: 1.4 KB
RevLine 
[512f85]1AT_BANNER([MoleCuilder - Selections])
2
[c77ac8]3### ATOMS ####
4
[512f85]5# 5. (un)select atoms by element
6m4_include(Selection/Atoms/testsuite-selection-atoms-by-element.at)
7
8# 6. (un)select atom by id
9m4_include(Selection/Atoms/testsuite-selection-atom-by-id.at)
10
11# 1. (un)select all atoms
12m4_include(Selection/Atoms/testsuite-selection-all-atoms.at)
13
14# 2. (un)select all atoms inside cuboid
15m4_include(Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at)
16
17# 3. (un)select all atoms inside sphere
18m4_include(Selection/Atoms/testsuite-selection-atoms-inside-sphere.at)
19
20# 4. (un)select all atoms of molecule
21m4_include(Selection/Atoms/testsuite-selection-atoms-of-molecule.at)
22
23# 7. clear atom selection
24m4_include(Selection/Atoms/testsuite-selection-clear-atoms.at)
25
[c77ac8]26### Molecules ###
27
28# 1. (un)select all molecules
29m4_include(Selection/Molecules/testsuite-selection-all-molecules.at)
30
31# 2. clear molecule selection
32m4_include(Selection/Molecules/testsuite-selection-clear-molecules.at)
33
34# 3. (un)select molecules by formula
35m4_include(Selection/Molecules/testsuite-selection-molecules-by-formula.at)
36
37# 4. (un)select molecule by id
38m4_include(Selection/Molecules/testsuite-selection-molecule-by-id.at)
39
40# 5. (un)select molecule by name
41m4_include(Selection/Molecules/testsuite-selection-molecules-by-name.at)
42
43# 6. (un)select molecule from atom selection
44m4_include(Selection/Molecules/testsuite-selection-molecules-of-atoms.at)
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