Changeset 198494 for src

Timestamp:

Jun 10, 2010, 4:20:36 PM (15 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:

39af9f

Parents:

61745cc

Message:

Case 'e' is now handled by CommandLineUI.

• BUGFIX: ElementDbAction did copy databasepath not when dialog was finished but before.

Location:

src

Files:

• Actions/CmdAction/ElementDbAction.cpp (modified) (1 diff)
• Actions/MapOfActions.cpp (modified) (1 diff)
• builder.cpp (modified) (2 diffs)

src/Actions/CmdAction/ElementDbAction.cpp

@@ -40 +40 @@
   config *configuration = World::getInstance().getConfig();
   dialog->queryString(NAME, &databasepath, MapOfActions::getInstance().getDescription(NAME));
-  strcpy(configuration->databasepath, databasepath.c_str());
 
   if(dialog->display()) {
+    strcpy(configuration->databasepath, databasepath.c_str());
     delete dialog;
   } else {
     delete dialog;
+    return Action::failure;
   }
 

src/Actions/MapOfActions.cpp

@@ -242 +242 @@
 //      generic.insert("default-molname");
         generic.insert("depth-first-search");
-//      generic.insert("element-d<b");
+        generic.insert("element-db");
 //      generic.insert("fastparsing");
   generic.insert("fill-molecule");

src/builder.cpp

@@ -1555 +1555 @@
               performCriticalExit();
             } else {
-              DoLog(0) && (Log() << Verbose(0) << "Using " << argv[argptr] << " as elements database." << endl);
-              strncpy (configuration.databasepath, argv[argptr], MAXSTRINGSIZE-1);
-              DatabasePathGiven = true;
+              ArgcList.insert(argptr-1);
+              ArgcList.insert(argptr);
               argptr+=1;
             }
@@ -1601 +1600 @@
 
     // 3a. Parse the element database
-    if (DatabasePathGiven)
-      if (periode->LoadPeriodentafel(configuration.databasepath)) {
-        DoLog(0) && (Log() << Verbose(0) << "Element list loaded successfully." << endl);
-        //periode->Output();
-      } else {
-        DoLog(0) && (Log() << Verbose(0) << "Element list loading failed." << endl);
-        return 1;
-      }
+//    if (DatabasePathGiven)
+//      if (periode->LoadPeriodentafel(configuration.databasepath)) {
+//        DoLog(0) && (Log() << Verbose(0) << "Element list loaded successfully." << endl);
+//        //periode->Output();
+//      } else {
+//        DoLog(0) && (Log() << Verbose(0) << "Element list loading failed." << endl);
+//        return 1;
+//      }
     // 3b. Find config file name and parse if possible, also BondGraphFileName
     if (argv[1][0] != '-') {