Changeset d50b91 for tests/GuiChecks/Parser
- Timestamp:
- Mar 16, 2017, 6:48:58 AM (8 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_ChronosMutex, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable
- Children:
- 917c46
- Parents:
- cb20c0
- Location:
- tests/GuiChecks/Parser
- Files:
-
- 4 edited
Legend:
- Unmodified
- Added
- Removed
-
tests/GuiChecks/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at
rcb20c0 rd50b91 20 20 21 21 AT_SETUP([Parser - load tremolo file with potentials]) 22 AT_KEYWORDS([parser tremolo load parse- tremolo-potentials])22 AT_KEYWORDS([parser tremolo load parse-particle-parameters]) 23 23 24 24 file=argon.data … … 26 26 AT_CHECK([/bin/cp ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/pre/argon.potentials .], 0, [ignore], [ignore]) 27 27 AT_CHECK([chmod u+w $file], 0) 28 AT_CHECK([../../molecuilder --dry-run -v 2 --parse- tremolo-potentials argon.potentials -i $file --no-dry-run --store-session session-parser-tremolo-potentials-load.py --session-type python], 0, [stdout], [ignore])28 AT_CHECK([../../molecuilder --dry-run -v 2 --parse-particle-parameters argon.potentials -i $file --no-dry-run --store-session session-parser-tremolo-potentials-load.py --session-type python], 0, [stdout], [ignore]) 29 29 AT_CHECK([grep -v "Command.*DryRun" session-parser-tremolo-potentials-load.py >session-parser-tremolo-potentials-load_new.py], 0, [ignore], [ignore]) 30 30 AT_CHECK([../../molecuilderguitest session-parser-tremolo-potentials-load_new.py], 0, [stdout], [ignore]) -
tests/GuiChecks/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at
rcb20c0 rd50b91 19 19 20 20 AT_SETUP([Parser - saving tremolo file from loaded xyz file with potentials]) 21 AT_KEYWORDS([parser tremolo save parse- tremolo-potentials])21 AT_KEYWORDS([parser tremolo save parse-particle-parameters]) 22 22 23 23 AT_CHECK([/bin/cp ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/pre/argon.potentials .], 0, [ignore], [ignore]) 24 AT_CHECK([../../molecuilder --dry-run -v 2 --parse- tremolo-potentials argon.potentials -i test.data-l ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/pre/test.xyz --no-dry-run --store-session session-parser-tremolo-potentials-save.py --session-type python], 0, [ignore], [ignore])24 AT_CHECK([../../molecuilder --dry-run -v 2 --parse-particle-parameters argon.potentials -i test.data -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/pre/test.xyz --no-dry-run --store-session session-parser-tremolo-potentials-save.py --session-type python], 0, [ignore], [ignore]) 25 25 AT_CHECK([grep -v "Command.*DryRun" session-parser-tremolo-potentials-save.py >session-parser-tremolo-potentials-save_new.py], 0, [ignore], [ignore]) 26 26 AT_CHECK([../../molecuilderguitest session-parser-tremolo-potentials-save_new.py], 0, [ignore], [ignore]) -
tests/GuiChecks/Parser/Tremolo/testsuite-parser-tremolo-improper.at
rcb20c0 rd50b91 36 36 37 37 AT_SETUP([Parser - loading tremolo file with improper]) 38 AT_KEYWORDS([parser input load tremolo improper parse- tremolo-potentials])38 AT_KEYWORDS([parser input load tremolo improper parse-particle-parameters]) 39 39 40 40 prefile=bio.data 41 41 file=bio2.data 42 42 AT_CHECK([/bin/cp ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/$prefile $prefile], 0, [ignore], [ignore]) 43 AT_CHECK([../../molecuilder --dry-run --parse- tremolo-potentials ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/bio.potentials -i $file -o tremolo -l $prefile --no-dry-run --store-session session-parser-tremolo-improper.py --session-type python], 0, [ignore], [ignore])43 AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/bio.potentials -i $file -o tremolo -l $prefile --no-dry-run --store-session session-parser-tremolo-improper.py --session-type python], 0, [ignore], [ignore]) 44 44 AT_CHECK([grep -v "Command.*DryRun" session-parser-tremolo-improper.py >session-parser-tremolo-improper_new.py], 0, [ignore], [ignore]) 45 45 AT_CHECK([../../molecuilderguitest session-parser-tremolo-improper_new.py], 0, [ignore], [ignore]) -
tests/GuiChecks/Parser/testsuite-parser.at
rcb20c0 rd50b91 71 71 72 72 # parsing tremolo with .potentials 73 m4_include([Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at])74 73 m4_include([Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at]) 75 74 m4_include([Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at])
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