Ignore:
Timestamp:
Jun 11, 2012, 9:53:19 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:
95f965
Parents:
b9c69d
git-author:
Michael Ankele <ankele@…> (04/24/12 13:55:16)
git-committer:
Frederik Heber <heber@…> (06/11/12 09:53:19)
Message:

disastrously big and ugly commit

  • using new Parameter<T> classes:
    • Actions
    • Queries (all UIs)
  • TODO:
    • actions crash cause Value is unset
    • no query<BoxVector>
Location:
src/Actions/ParserAction
Files:
5 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/ParserAction/ParseTremoloPotentialsAction.cpp

    rb9c69d rf10b0c  
    4242  FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>();
    4343  // parsing file if present
    44   if (!boost::filesystem::exists(params.filename)) {
    45     LOG(1, "Specified potentials file " << params.filename << " not found.");
     44  if (!boost::filesystem::exists(params.filename.get())) {
     45    LOG(1, "Specified potentials file " << params.filename.get() << " not found.");
    4646    // DONT FAIL: it's just empty we re-create default id-mapping
    4747    parser.createKnownTypesByIdentity();
     
    5151
    5252    // parse the file
    53     test.open(params.filename);
     53    test.open(params.filename.get());
    5454    parser.parseKnownTypes(test);
    5555    test.close();
  • src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.cpp

    rb9c69d rf10b0c  
    4040/** =========== define the function ====================== */
    4141Action::state_ptr ParserSaveSelectedAtomsAsExtTypesAction::performCall() {
    42   if (boost::filesystem::exists(params.filename)) {
    43     ELOG(1, "Specified exttypes file " << params.filename << " already exists.");
     42  if (boost::filesystem::exists(params.filename.get())) {
     43    ELOG(1, "Specified exttypes file " << params.filename.get() << " already exists.");
    4444
    4545    return Action::failure;
     
    4747    const FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>();
    4848
    49     LOG(1, "Creating exttypes file " << params.filename << " ... ");
     49    LOG(1, "Creating exttypes file " << params.filename.get() << " ... ");
    5050    boost::filesystem::ofstream test;
    51     test.open(params.filename);
    52     const bool status = parser.saveAtomsInExttypes(test, World::getInstance().getSelectedAtoms(), params.id);
     51    test.open(params.filename.get());
     52    const bool status = parser.saveAtomsInExttypes(test, World::getInstance().getSelectedAtoms(), params.id.get());
    5353    test.close();
    5454
  • src/Actions/ParserAction/SetOutputFormatsAction.cpp

    rb9c69d rf10b0c  
    3838/** =========== define the function ====================== */
    3939Action::state_ptr ParserSetOutputFormatsAction::performCall() {
    40   LOG(1, "Format list is: " << params.FormatList);
    41   for (vector<std::string>::iterator iter = params.FormatList.begin(); iter != params.FormatList.end(); ++iter) {
     40  LOG(1, "Format list is: " << params.FormatList.get());
     41  for (vector<std::string>::const_iterator iter = params.FormatList.get().begin(); iter != params.FormatList.get().end(); ++iter) {
    4242    if (!FormatParserStorage::getInstance().add(*iter)) {
    4343      ELOG(1, "Unknown parser format in ParserSetOutputFormatsAction: '" << *iter << "'");
  • src/Actions/ParserAction/SetParserParametersAction.cpp

    rb9c69d rf10b0c  
    4040Action::state_ptr ParserSetParserParametersAction::performCall() {
    4141  // get parser
    42   ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(params.parsername);
     42  ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(params.parsername.get());
    4343  FormatParser_Parameters *parameters = FormatParserStorage::getInstance().get(type).parameters;
    4444  ASSERT(parameters != NULL,
     
    5050
    5151  // obtain information
    52   std::stringstream newparamstream(params.newparams);
     52  std::stringstream newparamstream(params.newparams.get());
    5353  newparamstream >> *parameters;
    5454
     
    5959  ParserSetParserParametersState *state = assert_cast<ParserSetParserParametersState*>(_state.get());
    6060
    61   ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(state->params.parsername);
     61  ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(state->params.parsername.get());
    6262  FormatParser_Parameters *parser = FormatParserStorage::getInstance().get(type).parameters;
    6363  std::stringstream oldparamstream(state->oldparams);
     
    7070  ParserSetParserParametersState *state = assert_cast<ParserSetParserParametersState*>(_state.get());
    7171
    72   ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(state->params.parsername);
     72  ParserTypes type = FormatParserStorage::getInstance().getTypeFromName(state->params.parsername.get());
    7373  FormatParser_Parameters *parser = FormatParserStorage::getInstance().get(type).parameters;
    74   std::stringstream newparamstream(state->params.newparams);
     74  std::stringstream newparamstream(state->params.newparams.get());
    7575  newparamstream >> *parser;
    7676
  • src/Actions/ParserAction/SetTremoloAtomdataAction.cpp

    rb9c69d rf10b0c  
    4141  FormatParser<tremolo> &parser = FormatParserStorage::getInstance().getParser<tremolo>();
    4242
    43   LOG(1, "Setting Tremolo's ATOMDATA to: '" << params.atomdata_string << "'");
     43  LOG(1, "Setting Tremolo's ATOMDATA to: '" << params.atomdata_string.get() << "'");
    4444
    45   parser.setAtomData(params.atomdata_string);
     45  parser.setAtomData(params.atomdata_string.get());
    4646
    4747  return Action::success;
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