Changeset 41d023 for tests/regression/Makefile.am

Timestamp:

Oct 31, 2011, 11:16:17 AM (13 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:

e5ece4

Parents:

07a47e

git-author:

Frederik Heber <heber@…> (10/26/11 16:22:33)

git-committer:

Frederik Heber <heber@…> (10/31/11 11:16:17)

Message:

Renamed SetMpqcParametersAction to SetParserParametersAction and generalized.

• now we may set the parameters of basically any parser, so far it's probably just mpqc and pis3.
• changed operator<<(FormatParser_Parameters): no output when value is empty string.
• changed operator>>(FormatParser_Parameters): Asserts were not really making sure that value_iter and param_iter were readible.
• Added regression test on setting psi3 parameters (wfn).

File:

• tests/regression/Makefile.am (modified) (2 diffs)

tests/regression/Makefile.am

@@ -90 +90 @@
         $(srcdir)/Parser/Mpqc/testsuite-parser-mpqc-load.at \
         $(srcdir)/Parser/Mpqc/testsuite-parser-mpqc-save.at \
-        $(srcdir)/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at \
-        $(srcdir)/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-basis.at \
-        $(srcdir)/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-maxiterations.at \
-        $(srcdir)/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters-theory.at \
         $(srcdir)/Parser/Pcp/testsuite-parser-pcp-empty.at \
         $(srcdir)/Parser/Pcp/testsuite-parser-pcp-load.at \
@@ -109 +105 @@
         $(srcdir)/Parser/Psi3/testsuite-parser-psi3-load.at \
         $(srcdir)/Parser/Psi3/testsuite-parser-psi3-save.at \
+        $(srcdir)/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc.at \
+        $(srcdir)/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-basis.at \
+        $(srcdir)/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-maxiterations.at \
+        $(srcdir)/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-theory.at \
+        $(srcdir)/Parser/SetParameters/Psi3/testsuite-parser-set-parameters-psi3-wavefunction.at \
         $(srcdir)/Parser/Tremolo/testsuite-parser-tremolo-empty.at \
         $(srcdir)/Parser/Tremolo/testsuite-parser-tremolo-load.at \