Changeset 4f7f34e for src/builder.cpp

Timestamp:

Jun 25, 2010, 8:11:20 AM (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:

a356f2

Parents:

d0fbec

Message:

ParseCommandLineOptions() is not used anymore.

• new Actions InputAction and OutputAction.
• ParseCommandLineOptions() is not called anymore in main(), instead all is handled by CommandLineUI
• Creating first molecule and loading Bondgraph is done in main()

• TESTFIX: boost::program_options returns 134 in case of missing argument, not 255 and also no more CRITICAL message is given: testsuite-standard_options and testsuite-simple_configurations

File:

• src/builder.cpp (modified) (4 diffs)

src/builder.cpp ¶

@@ -2181 +2181 @@
     int ExitFlag = 0;
     bool ArgumentsCopied = false;
-    char *ConfigFileName = new char[MAXSTRINGSIZE];
+    //char *ConfigFileName = new char[MAXSTRINGSIZE];
     std::string BondGraphFileName("\n");
     FormatParserStorage::getInstance().addMpqc();
@@ -2210 +2210 @@
     // Parse command line options and if present create respective UI
     {
-      set<int> ArgcList;
-      ArgcList.insert(0); // push back program!
-      ArgcList.insert(1); // push back config file name
+      //set<int> ArgcList;
+      //ArgcList.insert(0); // push back program!
+      //ArgcList.insert(1); // push back config file name
       // handle arguments by ParseCommandLineOptions()
-      ExitFlag = ParseCommandLineOptions(argc,argv,World::getInstance().getMolecules(),World::getInstance().getPeriode(),*World::getInstance().getConfig(), &ConfigFileName, BondGraphFileName, ArgcList);
-      World::getInstance().setExitFlag(ExitFlag);
+      //ExitFlag = ParseCommandLineOptions(argc,argv,World::getInstance().getMolecules(),World::getInstance().getPeriode(),*World::getInstance().getConfig(), &ConfigFileName, BondGraphFileName, ArgcList);
+      //World::getInstance().setExitFlag(ExitFlag);
       // copy all remaining arguments to a new argv
-      Arguments = new char *[ArgcList.size()];
+      Arguments = new char *[argc];
       cout << "The following arguments are handled by CommandLineParser: ";
-      for (set<int>::iterator ArgcRunner = ArgcList.begin(); ArgcRunner != ArgcList.end(); ++ArgcRunner) {
-        Arguments[ArgcSize] = new char[strlen(argv[*ArgcRunner])+2];
-        strcpy(Arguments[ArgcSize], argv[*ArgcRunner]);
-        cout << " " << argv[*ArgcRunner];
+      for (int ArgcRunner=0;ArgcRunner<argc;ArgcRunner++) {
+      //for (set<int>::iterator ArgcRunner = ArgcList.begin(); ArgcRunner != ArgcList.end(); ++ArgcRunner) {
+        Arguments[ArgcSize] = new char[strlen(argv[ArgcRunner])+2];
+        strcpy(Arguments[ArgcSize], argv[ArgcRunner]);
+        cout << " " << argv[ArgcRunner];
         ArgcSize++;
       }
@@ -2258 +2259 @@
     }
 
-    std::string FilenamePrefix(ConfigFileName);
-    FormatParserStorage::getInstance().SetOutputPrefixForAll(FilenamePrefix);
     FormatParserStorage::getInstance().SaveAll();
     ChangeTracker::getInstance().saveStatus();
@@ -2269 +2268 @@
     delete[](Arguments);
   }
-  delete[](ConfigFileName);
+  //delete[](ConfigFileName);
 
   ExitFlag = World::getInstance().getExitFlag();