Changeset e611dc for tests/regression/Options
- Timestamp:
- Oct 10, 2011, 2:27:05 PM (14 years ago)
- 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:
- c1db05
- Parents:
- 6bc86c
- git-author:
- Frederik Heber <heber@…> (09/05/11 17:31:55)
- git-committer:
- Frederik Heber <heber@…> (10/10/11 14:27:05)
- Location:
- tests/regression/Options
- Files:
-
- 11 edited
-
BondLengthTable/testsuite-options-bond-length-table.at (modified) (3 diffs)
-
ElementsDb/testsuite-options-elements-db.at (modified) (3 diffs)
-
ElementsDb/testsuite-options-no-elements-db.at (modified) (1 diff)
-
Empty/testsuite-options-empty-configs.at (modified) (1 diff)
-
FastParsing/testsuite-options-fast-parsing.at (modified) (3 diffs)
-
Help/testsuite-options-help.at (modified) (1 diff)
-
InvalidCommands/testsuite-options-invalid-commands.at (modified) (1 diff)
-
SetDefaultName/testsuite-options-set-default-name.at (modified) (3 diffs)
-
SetWorldTime/testsuite-options-set-world-time.at (modified) (3 diffs)
-
Verbosity/testsuite-options-verbosity.at (modified) (3 diffs)
-
Warranty/testsuite-options-warranty.at (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Options/BondLengthTable/testsuite-options-bond-length-table.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - bond length table]) 4 AT_KEYWORDS([options ,bond-table])4 AT_KEYWORDS([options bond-table]) 5 5 6 6 AT_DATA([bondlength.db], [[# bond length database … … 17 17 AT_SETUP([Standard Options - bond length table with Undo]) 18 18 AT_XFAIL_IF([/bin/true]) 19 AT_KEYWORDS([options ,bond-table,undo])19 AT_KEYWORDS([options bond-table undo]) 20 20 21 21 AT_DATA([bondlength.db], [[# bond length database … … 32 32 AT_SETUP([Standard Options - bond length table with Redo]) 33 33 AT_XFAIL_IF([/bin/true]) 34 AT_KEYWORDS([options ,bond-table,redo])34 AT_KEYWORDS([options bond-table redo]) 35 35 36 36 AT_DATA([bondlength.db], [[# bond length database -
tests/regression/Options/ElementsDb/testsuite-options-elements-db.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - element database]) 4 AT_KEYWORDS([options ,element-db])4 AT_KEYWORDS([options element-db]) 5 5 6 6 AT_DATA([elements.db], [[# Covalent radius of each element in Angstroem from CSD (binding is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with t = 0.4A … … 19 19 AT_SETUP([Standard Options - element database with Undo]) 20 20 AT_XFAIL_IF([/bin/true]) 21 AT_KEYWORDS([options ,element-db,undo])21 AT_KEYWORDS([options element-db undo]) 22 22 23 23 AT_DATA([elements.db], [[# Covalent radius of each element in Angstroem from CSD (binding is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with t = 0.4A … … 36 36 AT_SETUP([Standard Options - element database with Redo]) 37 37 AT_XFAIL_IF([/bin/true]) 38 AT_KEYWORDS([options ,element-db,redo])38 AT_KEYWORDS([options element-db redo]) 39 39 40 40 AT_DATA([elements.db], [[# Covalent radius of each element in Angstroem from CSD (binding is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with t = 0.4A -
tests/regression/Options/ElementsDb/testsuite-options-no-elements-db.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - no element database]) 4 AT_KEYWORDS([options ,element-db])4 AT_KEYWORDS([options element-db]) 5 5 AT_CHECK([../../molecuilder -e], 134, [ignore], [stderr]) 6 6 AT_CLEANUP -
tests/regression/Options/Empty/testsuite-options-empty-configs.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - invalid commands on empty configs]) 4 AT_KEYWORDS([options ,translate-atoms,save-selected-molecules,change-element,add-empty-boundary,center-in-box,add-atom,suspend-in-water])4 AT_KEYWORDS([options translate-atoms save-selected-molecules change-element add-empty-boundary center-in-box add-atom suspend-in-water]) 5 5 AT_CHECK([../../molecuilder -i empty.conf -t -s -E -c -b -a -T -u], 134, [ignore], [stderr]) 6 6 AT_CLEANUP -
tests/regression/Options/FastParsing/testsuite-options-fast-parsing.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - fast trajectories]) 4 AT_KEYWORDS([options ,fastparsing])4 AT_KEYWORDS([options fastparsing]) 5 5 6 6 AT_CHECK([../../molecuilder -i test.conf -n 1], 0, [stdout], [stderr]) … … 10 10 11 11 AT_SETUP([Standard Options - fast trajectories with Undo]) 12 AT_KEYWORDS([options ,fastparsing,undo])12 AT_KEYWORDS([options fastparsing undo]) 13 13 14 14 AT_CHECK([../../molecuilder -i test.conf -n 1 --undo], 0, [stdout], [stderr]) … … 19 19 20 20 AT_SETUP([Standard Options - fast trajectories with Redo]) 21 AT_KEYWORDS([options ,fastparsing,redo])21 AT_KEYWORDS([options fastparsing redo]) 22 22 23 23 AT_CHECK([../../molecuilder -i test.conf -n 1 --undo --redo], 0, [stdout], [stderr]) -
tests/regression/Options/Help/testsuite-options-help.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - help]) 4 AT_KEYWORDS([options ,help])4 AT_KEYWORDS([options help]) 5 5 6 6 AT_CHECK([../../molecuilder -h], 0, [stdout], [ignore]) -
tests/regression/Options/InvalidCommands/testsuite-options-invalid-commands.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - invalid commands on present configs]) 4 AT_KEYWORDS([options ,translate-atoms,save-selected-molecules,change-element,add-empty-boundary,center-in-box,add-atom,suspend-in-water])4 AT_KEYWORDS([options translate-atoms save-selected-molecules change-element add-empty-boundary center-in-box add-atom suspend-in-water]) 5 5 6 6 file=test.conf -
tests/regression/Options/SetDefaultName/testsuite-options-set-default-name.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - molecule default name]) 4 AT_KEYWORDS([options ,default-molname])4 AT_KEYWORDS([options default-molname]) 5 5 6 6 AT_CHECK([../../molecuilder -i test.conf -X test], 0, [stdout], [stderr]) … … 10 10 11 11 AT_SETUP([Standard Options - molecule default name with Undo]) 12 AT_KEYWORDS([options ,default-molname,undo])12 AT_KEYWORDS([options default-molname undo]) 13 13 AT_CHECK([../../molecuilder -i test.conf -X test --undo], 0, [stdout], [stderr]) 14 14 AT_CHECK([fgrep "Default name of new molecules set to none." stdout], 0, [ignore], [ignore]) … … 18 18 19 19 AT_SETUP([Standard Options - molecule default name with Redo]) 20 AT_KEYWORDS([options ,default-molname,redo])20 AT_KEYWORDS([options default-molname redo]) 21 21 22 22 AT_CHECK([../../molecuilder -i test.conf -X test --undo --redo], 0, [stdout], [stderr]) -
tests/regression/Options/SetWorldTime/testsuite-options-set-world-time.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - set world time]) 4 AT_KEYWORDS([options ,set-world-time])4 AT_KEYWORDS([options set-world-time]) 5 5 6 6 AT_CHECK([../../molecuilder --set-world-time 10], 0, [stdout], [stderr]) … … 11 11 12 12 AT_SETUP([Standard Options - set world time with Undo]) 13 AT_KEYWORDS([options ,set-world-time,undo])13 AT_KEYWORDS([options set-world-time undo]) 14 14 15 15 AT_CHECK([../../molecuilder --set-world-time 10 --undo], 0, [stdout], [stderr]) … … 20 20 21 21 AT_SETUP([Standard Options - set world time with Redo]) 22 AT_KEYWORDS([options ,set-world-time,redo])22 AT_KEYWORDS([options set-world-time redo]) 23 23 24 24 AT_CHECK([../../molecuilder --set-world-time 10 --undo --redo], 0, [stdout], [stderr]) -
tests/regression/Options/Verbosity/testsuite-options-verbosity.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - verbosity]) 4 AT_KEYWORDS([options ,verbose])4 AT_KEYWORDS([options verbose]) 5 5 6 6 AT_CHECK([../../molecuilder -v 9], 0, [stdout], [ignore]) … … 11 11 12 12 AT_SETUP([Standard Options - verbosity with Undo]) 13 AT_KEYWORDS([options ,verbose,undo])13 AT_KEYWORDS([options verbose undo]) 14 14 15 15 AT_CHECK([../../molecuilder -v 9 --undo], 0, [stdout], [ignore]) … … 20 20 21 21 AT_SETUP([Standard Options - verbosity with Redo]) 22 AT_KEYWORDS([options ,verbose,redo])22 AT_KEYWORDS([options verbose redo]) 23 23 24 24 AT_CHECK([../../molecuilder -v 9 --undo --redo], 0, [stdout], [ignore]) -
tests/regression/Options/Warranty/testsuite-options-warranty.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Standard Options - warranty screen]) 4 AT_KEYWORDS([options ,warranty])4 AT_KEYWORDS([options warranty]) 5 5 AT_CHECK([../../molecuilder --warranty], 0, [stdout], [ignore]) 6 6 AT_CHECK([fgrep "statement concerning warranty" stdout], 0, [ignore], [ignore])
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