Changeset b9bfa6 for tests/regression/Selection/testsuite-selection.at

Timestamp:

Feb 4, 2011, 7:11:51 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:

0a2b34

Parents:

967b3c

git-author:

Frederik Heber <heber@…> (02/02/11 14:09:44)

git-committer:

Frederik Heber <heber@…> (02/04/11 19:11:51)

Message:

Changed regression testsuite structure of Selection/Atoms and ../Molecules.

• all numbered test cases now have meaningful names.
• (Un)Selection/Molecule action renames: by-formula and by-name have plural molecules (they can select multiple ones), by-id is singular.
• renamed token of AtomAction/RotateAroundOriginByAngleAction: rotate-origin -> rotate-around-origin.
• TESTFIX: Analysis/AngularDipoleCorrelation-Empty due to renaming of molecule_s_-by-formula
• TESTFIX: Analysis/SurfaceCorrelation due to renaming of molecule_s_-by_formula

File:

• tests/regression/Selection/testsuite-selection.at (modified) (1 diff)

tests/regression/Selection/testsuite-selection.at

@@ -3 +3 @@
 ### ATOMS ####
 
-# 5. (un)select atoms by element
-m4_include(Selection/Atoms/testsuite-selection-atoms-by-element.at)
+# (un)select all atoms
+m4_include(Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at)
 
-# 6. (un)select atom by id
-m4_include(Selection/Atoms/testsuite-selection-atom-by-id.at)
+# (un)select all atoms of molecule
+m4_include(Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at)
 
-# 1. (un)select all atoms
-m4_include(Selection/Atoms/testsuite-selection-all-atoms.at)
+# (un)select atoms by element
+m4_include(Selection/Atoms/AtomByElement/testsuite-selection-atoms-by-element.at)
 
-# 2. (un)select all atoms inside cuboid
-m4_include(Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at)
+# (un)select atom by id
+m4_include(Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at)
 
-# 3. (un)select all atoms inside sphere
-m4_include(Selection/Atoms/testsuite-selection-atoms-inside-sphere.at)
+# (un)select atoms inside cuboid
+m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at)
 
-# 4. (un)select all atoms of molecule
-m4_include(Selection/Atoms/testsuite-selection-atoms-of-molecule.at)
+# (un)select atoms inside sphere
+m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at)
 
-# 7. clear atom selection
-m4_include(Selection/Atoms/testsuite-selection-clear-atoms.at)
+# clear atom selection
+m4_include(Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at)
 
 ### Molecules ###
 
-# 1. (un)select all molecules
-m4_include(Selection/Molecules/testsuite-selection-all-molecules.at)
+# (un)select all molecules
+m4_include(Selection/Molecules/AllMolecules/testsuite-selection-all-molecules.at)
 
-# 2. clear molecule selection
-m4_include(Selection/Molecules/testsuite-selection-clear-molecules.at)
+# clear molecule selection
+m4_include(Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at)
 
-# 3. (un)select molecules by formula
-m4_include(Selection/Molecules/testsuite-selection-molecules-by-formula.at)
+# (un)select molecules by formula
+m4_include(Selection/Molecules/MoleculeByFormula/testsuite-selection-molecules-by-formula.at)
 
-# 4. (un)select molecule by id
-m4_include(Selection/Molecules/testsuite-selection-molecule-by-id.at)
+# (un)select molecule by id
+m4_include(Selection/Molecules/MoleculeById/testsuite-selection-molecule-by-id.at)
 
-# 5. (un)select molecule by name
-m4_include(Selection/Molecules/testsuite-selection-molecules-by-name.at)
+# (un)select molecule by name
+m4_include(Selection/Molecules/MoleculeByName/testsuite-selection-molecules-by-name.at)
 
-# 6. (un)select molecule from atom selection
-m4_include(Selection/Molecules/testsuite-selection-molecules-of-atoms.at)
+# (un)select molecule from atom selection
+m4_include(Selection/Molecules/MoleculeOfAtom/testsuite-selection-atoms-molecules.at)