Changeset ad7270 for src/Actions/CommandAction

Timestamp:

Dec 16, 2010, 5:32:23 PM (14 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:

2a0a9e3

Parents:

f4d063

git-author:

Frederik Heber <heber@…> (12/15/10 16:26:52)

git-committer:

Frederik Heber <heber@…> (12/16/10 17:32:23)

Message:

Reduced initial verbosity of code.

FIX:

• initUI() - no more admonishing of missing bond length table.

The following messages have been placed in comments:

• Registering of Action/Options.
• Looking for KnownTypes.
• Stating MenuNames, Separators and submenu creations.
• No more listing of parsed elements.
• No more listing of thermostats.

The following messages have been added:

• prepended scanning arguments in CommandLineParser::scan...().
• prepended running arguments in CommandLineWindow::display().
• additional new line after ProgamHeader().
• correct CommandLine UI setting to occur before arguments are parsed.
• changed verbosity levels of CommandLineParser::scanforSequenceOfArguments(), also all use DoLog(), i.e. global verbosity makes them be listed again.

NOTE:

• MemDebug: as delete NULL is safe, we do not warn when this occurs. Also, in Qt this happens a lot.

TESTFIX:

• setting global verbosity to 1, messed with Standard_Options/1. There we set verbosity to 9 to avoid this in the future.

File:

• src/Actions/CommandAction/BondLengthTableAction.cpp (modified) (1 diff)

src/Actions/CommandAction/BondLengthTableAction.cpp

@@ -47 +47 @@
   if (configuration->BG == NULL) {
     configuration->BG = new BondGraph(configuration->GetIsAngstroem());
-    if ((!params.BondGraphFileName.empty()) && (configuration->BG->LoadBondLengthTable(params.BondGraphFileName.string()))) {
+    if ((!params.BondGraphFileName.empty())
+        && boost::filesystem::exists(params.BondGraphFileName)
+        && (configuration->BG->LoadBondLengthTable(params.BondGraphFileName.string()))) {
       DoLog(0) && (Log() << Verbose(0) << "Bond length table loaded successfully." << endl);
       return Action::success;