Changeset 2fe4a5 for tests/regression/Parser/Tremolo

Timestamp:

May 18, 2016, 10:03:03 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, 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_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, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, 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:

30e5dc

Parents:

740f9f

git-author:

Frederik Heber <heber@…> (03/10/16 09:09:31)

git-committer:

Frederik Heber <heber@…> (05/18/16 22:03:03)

Message:

TESTFIX: Changed all parse-tremolo-potential calls to parse-particle-parameters.

• also in boxmaker.py.in.

File:

• tests/regression/Parser/Tremolo/testsuite-parser-tremolo-improper.at (modified) (1 diff)

tests/regression/Parser/Tremolo/testsuite-parser-tremolo-improper.at

@@ -36 +36 @@
 
 AT_SETUP([Parser - loading tremolo file with improper])
-AT_KEYWORDS([parser input load tremolo improper parse-tremolo-potentials])
+AT_KEYWORDS([parser input load tremolo improper parse-particle-parameters])
 
 prefile=bio.data
 file=bio2.data
 AT_CHECK([/bin/cp ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/$prefile $prefile], 0, [ignore], [ignore])
-AT_CHECK([../../molecuilder --parse-tremolo-potentials ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/bio.potentials -i $file -o tremolo -l $prefile], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilder --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/bio.potentials -i $file -o tremolo -l $prefile], 0, [ignore], [ignore])
 AT_CHECK([diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/$prefile], 0, [ignore], [ignore])