Changeset e611dc for tests/regression/Parser
- 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/Parser
- Files:
-
- 28 edited
Legend:
- Unmodified
- Added
- Removed
-
TabularUnified tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-basis.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - MPQC - set basis]) 4 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,basis])4 AT_KEYWORDS([options mpqc set-mpqc-parameters basis]) 5 5 6 6 AT_CHECK([../../molecuilder -i test.conf -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "basis = 4-31G"], 0, [stdout], [ignore]) … … 12 12 AT_SETUP([Parser - MPQC - set basis with Undo]) 13 13 AT_XFAIL_IF([/bin/true]) 14 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,basis,undo])14 AT_KEYWORDS([options mpqc set-mpqc-parameters basis undo]) 15 15 16 16 AT_CHECK([../../molecuilder -i test.conf -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "basis = 4-31G" --undo], 0, [stdout], [ignore]) … … 21 21 22 22 AT_SETUP([Parser - MPQC - set basis with Redo]) 23 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,basis,redo])23 AT_KEYWORDS([options mpqc set-mpqc-parameters basis redo]) 24 24 25 25 AT_CHECK([../../molecuilder -i test.conf -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "basis = 4-31G" --undo --redo], 0, [stdout], [ignore]) -
TabularUnified tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-maxiterations.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - MPQC - set maxiter]) 4 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,maxiter])4 AT_KEYWORDS([options mpqc set-mpqc-parameters maxiter]) 5 5 6 6 AT_CHECK([../../molecuilder -i test.conf -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "maxiter = 499"], 0, [stdout], [ignore]) … … 12 12 AT_SETUP([Parser - MPQC - set maxiter with Undo]) 13 13 AT_XFAIL_IF([/bin/true]) 14 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,maxiter,undo])14 AT_KEYWORDS([options mpqc set-mpqc-parameters maxiter undo]) 15 15 16 16 AT_CHECK([../../molecuilder -i test.conf -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "maxiter = 499" --undo], 0, [stdout], [ignore]) … … 21 21 22 22 AT_SETUP([Parser - MPQC - set maxiter with Redo]) 23 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,maxiter,redo])23 AT_KEYWORDS([options mpqc set-mpqc-parameters maxiter redo]) 24 24 25 25 AT_CHECK([../../molecuilder -i test.conf -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "maxiter = 499" --undo --redo], 0, [stdout], [ignore]) -
TabularUnified tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-theory.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - MPQC - set theory]) 4 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,theory])4 AT_KEYWORDS([options mpqc set-mpqc-parameters theory]) 5 5 6 6 AT_CHECK([../../molecuilder -i test.in -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "theory=CLKS"], 0, [stdout], [ignore]) … … 11 11 12 12 AT_SETUP([Parser - MPQC - set theory with Undo]) 13 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,theory,undo])13 AT_KEYWORDS([options mpqc set-mpqc-parameters theory undo]) 14 14 15 15 AT_CHECK([../../molecuilder -i test.in -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "theory=CLKS" --undo], 0, [stdout], [ignore]) … … 21 21 22 22 AT_SETUP([Parser - MPQC - set theory with Redo]) 23 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,theory,redo])23 AT_KEYWORDS([options mpqc set-mpqc-parameters theory redo]) 24 24 25 25 AT_CHECK([../../molecuilder -i test.in -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz -v 1 --set-mpqc-parameters "theory=CLKS" --undo --redo], 0, [stdout], [ignore]) -
TabularUnified tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - MPQC - check in file]) 4 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,basis,maxiter,theory])4 AT_KEYWORDS([options mpqc set-mpqc-parameters basis maxiter theory]) 5 5 6 6 AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/testCLHF.in -v 1 --set-mpqc-parameters "basis = 4-31G;maxiter=499;theory=CLKS;"], 0, [stdout], [ignore]) … … 12 12 AT_SETUP([Parser - MPQC - check in file with Undo]) 13 13 AT_XFAIL_IF([/bin/true]) 14 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,basis,maxiter,theory,undo])14 AT_KEYWORDS([options mpqc set-mpqc-parameters basis maxiter theory undo]) 15 15 16 16 AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/testCLHF.in -v 1 --set-mpqc-parameters "basis = 4-31G;maxiter=499;theory=CLKS;" --undo], 0, [stdout], [ignore]) … … 21 21 22 22 AT_SETUP([Parser - MPQC - check in file with Redo]) 23 AT_KEYWORDS([options ,mpqc,set-mpqc-parameters,basis,maxiter,theory,redo])23 AT_KEYWORDS([options mpqc set-mpqc-parameters basis maxiter theory redo]) 24 24 25 25 AT_CHECK([../../molecuilder -i ${abs_top_srcdir}/tests/regression/Parser/Mpqc-SetParameters/pre/testCLHF.in -v 1 --set-mpqc-parameters "basis = 4-31G;maxiter=499;theory=CLKS;" --undo --redo], 0, [stdout], [ignore]) -
TabularUnified tests/regression/Parser/Mpqc/testsuite-parser-mpqc-empty.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading empty mpqc file]) 4 AT_KEYWORDS([parser ,input,mpqc,emptyfile])4 AT_KEYWORDS([parser input mpqc emptyfile]) 5 5 6 6 file=empty.in -
TabularUnified tests/regression/Parser/Mpqc/testsuite-parser-mpqc-load.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading mpqc file]) 4 AT_KEYWORDS([parser ,load,mpqc])4 AT_KEYWORDS([parser load mpqc]) 5 5 6 6 file=testCLHF.in … … 25 25 AT_SETUP([Parser - loading mpqc file with Undo]) 26 26 AT_XFAIL_IF([/bin/true]) 27 AT_KEYWORDS([parser ,load,mpqc,undo])27 AT_KEYWORDS([parser load mpqc undo]) 28 28 29 29 file=emptyCLHF.in … … 48 48 AT_SETUP([Parser - loading mpqc file with Redo]) 49 49 AT_XFAIL_IF([/bin/true]) 50 AT_KEYWORDS([parser ,load,mpqc,redo])50 AT_KEYWORDS([parser load mpqc redo]) 51 51 52 52 file=testCLHF.in -
TabularUnified tests/regression/Parser/Mpqc/testsuite-parser-mpqc-save.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - saving mpqc from loaded xyz file]) 4 AT_KEYWORDS([parser ,output,mpqc,xyz])4 AT_KEYWORDS([parser output mpqc xyz]) 5 5 6 6 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc/pre/test.xyz --output test.in], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Pcp/testsuite-parser-pcp-empty.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading empty conf file]) 4 AT_KEYWORDS([parser ,input,pcp,emptyfile])4 AT_KEYWORDS([parser input pcp emptyfile]) 5 5 6 6 file=empty.conf -
TabularUnified tests/regression/Parser/Pcp/testsuite-parser-pcp-load.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading conf file]) 4 AT_KEYWORDS([parser ,load,pcp])4 AT_KEYWORDS([parser load pcp]) 5 5 6 6 AT_CHECK([../../molecuilder -i test.conf -o pcp -l ${abs_top_srcdir}/tests/regression/Parser/Pcp/pre/test.conf], 0, [ignore], [ignore]) … … 12 12 AT_SETUP([Parser - loading conf file with Undo]) 13 13 AT_XFAIL_IF([/bin/true]) 14 AT_KEYWORDS([parser ,load,pcp,undo])14 AT_KEYWORDS([parser load pcp undo]) 15 15 16 16 AT_CHECK([../../molecuilder -i test.conf -o pcp -l ${abs_top_srcdir}/tests/regression/Parser/Pcp/pre/test.conf --undo], 0, [ignore], [ignore]) … … 22 22 AT_SETUP([Parser - loading conf file with Redo]) 23 23 AT_XFAIL_IF([/bin/true]) 24 AT_KEYWORDS([parser ,load,pcp,redo])24 AT_KEYWORDS([parser load pcp redo]) 25 25 26 26 AT_CHECK([../../molecuilder -i test.conf -o pcp -l ${abs_top_srcdir}/tests/regression/Parser/Pcp/pre/test.conf --undo --redo], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Pcp/testsuite-parser-pcp-multiple-timesteps.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading conf with multiple time steps]) 4 AT_KEYWORDS([parser ,load,pcp,timesteps])4 AT_KEYWORDS([parser load pcp timesteps]) 5 5 6 6 AT_CHECK([../../molecuilder -i testmulti.conf -o pcp -l ${abs_top_srcdir}/tests/regression/Parser/Pcp/pre/testmulti.conf], 0, [ignore], [ignore]) … … 12 12 AT_SETUP([Parser - loading conf with multiple time steps with Undo]) 13 13 AT_XFAIL_IF([/bin/true]) 14 AT_KEYWORDS([parser ,load,pcp,timesteps,undo])14 AT_KEYWORDS([parser load pcp timesteps undo]) 15 15 16 16 AT_CHECK([../../molecuilder -i testmulti.conf -o pcp -l ${abs_top_srcdir}/tests/regression/Parser/Pcp/pre/testmulti.conf --undo], 0, [ignore], [ignore]) … … 22 22 AT_SETUP([Parser - loading conf with multiple time steps with Redo]) 23 23 AT_XFAIL_IF([/bin/true]) 24 AT_KEYWORDS([parser ,load,pcp,timesteps,redo])24 AT_KEYWORDS([parser load pcp timesteps redo]) 25 25 26 26 AT_CHECK([../../molecuilder -i testmulti.conf -o pcp -l ${abs_top_srcdir}/tests/regression/Parser/Pcp/pre/testmulti.conf --undo --redo], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Pcp/testsuite-parser-pcp-save.at ¶
r6bc86c re611dc 3 3 4 4 AT_SETUP([Parser - saving conf file]) 5 AT_KEYWORDS([parser ,output,pcp])5 AT_KEYWORDS([parser output pcp]) 6 6 7 7 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Pcp/pre/test.conf --output store.conf], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Pdb/testsuite-parser-pdb-empty.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading empty pdb file]) 4 AT_KEYWORDS([parser ,input,pdb,emptyfile])4 AT_KEYWORDS([parser input pdb emptyfile]) 5 5 AT_CHECK([echo "" >test.pdb], 0, [ignore], [ignore]) 6 6 AT_CHECK([../../molecuilder -i test.pdb -o pdb], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Pdb/testsuite-parser-pdb-load-various.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading various pdb files]) 4 AT_KEYWORDS([parser ,load,pdb])4 AT_KEYWORDS([parser load pdb]) 5 5 6 6 AT_CHECK([../../molecuilder -i testosterone.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testosterone.pdb], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Pdb/testsuite-parser-pdb-load.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading pdb file]) 4 AT_KEYWORDS([parser ,load,pdb])4 AT_KEYWORDS([parser load pdb]) 5 5 6 6 AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test.pdb], 0, [ignore], [ignore]) … … 12 12 AT_SETUP([Parser - loading pdb file with Undo]) 13 13 AT_XFAIL_IF([/bin/true]) 14 AT_KEYWORDS([parser ,load,pdb,undo])14 AT_KEYWORDS([parser load pdb undo]) 15 15 16 16 AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test.pdb --undo], 0, [ignore], [ignore]) … … 22 22 AT_SETUP([Parser - loading pdb file with Redo]) 23 23 AT_XFAIL_IF([/bin/true]) 24 AT_KEYWORDS([parser ,load,pdb,redo])24 AT_KEYWORDS([parser load pdb redo]) 25 25 26 26 AT_CHECK([../../molecuilder -i test.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test.pdb --undo --redo], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Pdb/testsuite-parser-pdb-multiple-timesteps.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading pdb file with multiple time steps]) 4 AT_KEYWORDS([parser ,load,pdb,timesteps])4 AT_KEYWORDS([parser load pdb timesteps]) 5 5 6 6 AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb], 0, [ignore], [ignore]) … … 14 14 AT_SETUP([Parser - loading pdb file with multiple time steps with Undo]) 15 15 AT_XFAIL_IF([/bin/true]) 16 AT_KEYWORDS([parser ,load,pdb,timesteps,undo])16 AT_KEYWORDS([parser load pdb timesteps undo]) 17 17 18 18 AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb --undo], 0, [ignore], [ignore]) … … 26 26 AT_SETUP([Parser - loading pdb file with multiple time steps with Redo]) 27 27 AT_XFAIL_IF([/bin/true]) 28 AT_KEYWORDS([parser ,load,pdb,timesteps,redo])28 AT_KEYWORDS([parser load pdb timesteps redo]) 29 29 30 30 AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb --undo --redo], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Pdb/testsuite-parser-pdb-save.at ¶
r6bc86c re611dc 3 3 4 4 AT_SETUP([Parser - saving pdb file]) 5 AT_KEYWORDS([parser ,output,pdb])5 AT_KEYWORDS([parser output pdb]) 6 6 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test.pdb --output store.pdb], 0, [ignore], [ignore]) 7 7 AT_CHECK([diff -I '.*created by molecuilder.*' store.pdb ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/test.pdb], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Pdb/testsuite-parser-pdb-with-conects.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading pdb file with CONECTs]) 4 AT_KEYWORDS([parser ,load,pdb,conect])4 AT_KEYWORDS([parser load pdb conect]) 5 5 6 6 AT_CHECK([../../molecuilder -i test_conect.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test_conect.pdb], 0, [ignore], [ignore]) … … 12 12 AT_SETUP([Parser - loading pdb file with CONECTs with Undo]) 13 13 AT_XFAIL_IF([/bin/true]) 14 AT_KEYWORDS([parser ,load,pdb,conect,undo])14 AT_KEYWORDS([parser load pdb conect undo]) 15 15 16 16 AT_CHECK([../../molecuilder -i test_conect.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test_conect.pdb --undo], 0, [ignore], [ignore]) … … 22 22 AT_SETUP([Parser - loading pdb file with CONECTs with Redo]) 23 23 AT_XFAIL_IF([/bin/true]) 24 AT_KEYWORDS([parser ,load,pdb,conect,redo])24 AT_KEYWORDS([parser load pdb conect redo]) 25 25 26 26 AT_CHECK([../../molecuilder -i test_conect.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/test_conect.pdb --undo --redo], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-load.at ¶
r6bc86c re611dc 3 3 4 4 AT_SETUP([Parser - load tremolo file with potentials]) 5 AT_KEYWORDS([parser ,tremolo,load,parse-tremolo-potentials])5 AT_KEYWORDS([parser tremolo load parse-tremolo-potentials]) 6 6 7 7 file=argon.data -
TabularUnified tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials-save.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - saving tremolo file from loaded xyz file with potentials]) 4 AT_KEYWORDS([parser ,tremolo,save,parse-tremolo-potentials])4 AT_KEYWORDS([parser tremolo save parse-tremolo-potentials]) 5 5 6 6 AT_CHECK([../../molecuilder -v 2 --parse-tremolo-potentials argon.potentials -i test.data -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Potentials/pre/test.xyz], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Tremolo-Potentials/testsuite-parser-tremolo-potentials.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - parse potentials file]) 4 AT_KEYWORDS([parser ,tremolo,parse-tremolo-potentials])4 AT_KEYWORDS([parser tremolo parse-tremolo-potentials]) 5 5 6 6 file=argon.potentials -
TabularUnified tests/regression/Parser/Tremolo-SetAtomdata/testsuite-parser-tremolo-setatomdata.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - set tremolo's atomdata]) 4 AT_KEYWORDS([parser ,tremolo,set-tremolo-atomdata])4 AT_KEYWORDS([parser tremolo set-tremolo-atomdata]) 5 5 6 6 file=argon.data -
TabularUnified tests/regression/Parser/Tremolo/testsuite-parser-tremolo-empty.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading empty tremolo file]) 4 AT_KEYWORDS([parser ,input,tremolo,emptyfile])4 AT_KEYWORDS([parser input tremolo emptyfile]) 5 5 6 6 file=empty.data -
TabularUnified tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load.at ¶
r6bc86c re611dc 3 3 4 4 AT_SETUP([Parser - loading tremolo file]) 5 AT_KEYWORDS([parser ,load,tremolo])5 AT_KEYWORDS([parser load tremolo]) 6 6 7 7 file=argon.data … … 14 14 AT_SETUP([Parser - loading tremolo file with Undo]) 15 15 AT_XFAIL_IF([/bin/true]) 16 AT_KEYWORDS([parser ,load,tremolo,undo])16 AT_KEYWORDS([parser load tremolo undo]) 17 17 18 18 file=argon.data … … 25 25 AT_SETUP([Parser - loading tremolo file with Redo]) 26 26 AT_XFAIL_IF([/bin/true]) 27 AT_KEYWORDS([parser ,load,tremolo,redo])27 AT_KEYWORDS([parser load tremolo redo]) 28 28 29 29 file=argon.data -
TabularUnified tests/regression/Parser/Tremolo/testsuite-parser-tremolo-save.at ¶
r6bc86c re611dc 3 3 4 4 AT_SETUP([Parser - saving tremolo file]) 5 AT_KEYWORDS([parser ,output,tremolo])5 AT_KEYWORDS([parser output tremolo]) 6 6 7 7 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/test.data --output store.data], 0, [ignore], [ignore]) … … 12 12 13 13 AT_SETUP([Parser - saving tremolo from loaded xyz file]) 14 AT_KEYWORDS([parser ,tremolo,xyz])14 AT_KEYWORDS([parser tremolo xyz]) 15 15 16 16 AT_CHECK([../../molecuilder -i test.xyz -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/test.xyz], 0, [ignore], [ignore]) -
TabularUnified tests/regression/Parser/Xyz/testsuite-parser-xyz-empty.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading empty xyz file]) 4 AT_KEYWORDS([parser ,input,xyz,emptyfile])4 AT_KEYWORDS([parser input xyz emptyfile]) 5 5 6 6 file=empty.xyz -
TabularUnified tests/regression/Parser/Xyz/testsuite-parser-xyz-load.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading xyz file]) 4 AT_KEYWORDS([parser ,load,xyz])4 AT_KEYWORDS([parser load xyz]) 5 5 6 6 file=test.xyz … … 13 13 AT_SETUP([Parser - loading xyz file with Undo]) 14 14 AT_XFAIL_IF([/bin/true]) 15 AT_KEYWORDS([parser ,load,xyz,undo])15 AT_KEYWORDS([parser load xyz undo]) 16 16 17 17 file=test.xyz … … 24 24 AT_SETUP([Parser - loading xyz file with Redo]) 25 25 AT_XFAIL_IF([/bin/true]) 26 AT_KEYWORDS([parser ,load,xyz,redo])26 AT_KEYWORDS([parser load xyz redo]) 27 27 28 28 file=test.xyz -
TabularUnified tests/regression/Parser/Xyz/testsuite-parser-xyz-multiple-timesteps.at ¶
r6bc86c re611dc 2 2 3 3 AT_SETUP([Parser - loading xyz file with multiple time steps]) 4 AT_KEYWORDS([parser ,load,xyz,timesteps])4 AT_KEYWORDS([parser load xyz timesteps]) 5 5 6 6 file=testmulti.xyz … … 13 13 AT_SETUP([Parser - loading xyz file with multiple time steps with Undo]) 14 14 AT_XFAIL_IF([/bin/true]) 15 AT_KEYWORDS([parser ,load,xyz,timesteps,undo])15 AT_KEYWORDS([parser load xyz timesteps undo]) 16 16 17 17 file=testmulti.xyz … … 24 24 AT_SETUP([Parser - loading xyz file with multiple time steps with Redo]) 25 25 AT_XFAIL_IF([/bin/true]) 26 AT_KEYWORDS([parser ,load,xyz,timesteps,redo])26 AT_KEYWORDS([parser load xyz timesteps redo]) 27 27 28 28 file=testmulti.xyz -
TabularUnified tests/regression/Parser/Xyz/testsuite-parser-xyz-save.at ¶
r6bc86c re611dc 3 3 4 4 AT_SETUP([Parser - saving xyz file]) 5 AT_KEYWORDS([parser ,output,xyz])5 AT_KEYWORDS([parser output xyz]) 6 6 7 7 AT_CHECK([../../molecuilder -l ${abs_top_srcdir}/tests/regression/Parser/Xyz/pre/test.xyz --output store.xyz], 0, [ignore], [ignore])
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