Changeset ca1ba5


Ignore:
Timestamp:
Jul 22, 2010, 7:38:03 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:
9d33ba
Parents:
75dc28
Message:

Adapted dialog->query...() calls of all CorrelationAction()s to removed _target.

Location:
src/Actions/AnalysisAction
Files:
5 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/AnalysisAction/PairCorrelationAction.cpp

    r75dc28 rca1ba5  
    4040Dialog* AnalysisPairCorrelationAction::createDialog() {
    4141  Dialog *dialog = UIFactory::getInstance().makeDialog();
    42   int ranges[3] = {1, 1, 1};
    43   double BinEnd = 0.;
    44   double BinStart = 0.;
    45   double BinWidth = 0.;
    46   molecule *Boundary = NULL;
    47   string outputname;
    48   string binoutputname;
    49   bool periodic;
    50   ofstream output;
    51   ofstream binoutput;
    52   std::vector< element *> elements;
    53   string type;
    54   Vector Point;
    55   BinPairMap *binmap = NULL;
    5642
    57   dialog->queryElement("elements", &elements, MapOfActions::getInstance().getDescription("elements"));
    58   dialog->queryDouble("bin-start", &BinStart, MapOfActions::getInstance().getDescription("bin-start"));
    59   dialog->queryDouble("bin-width", &BinWidth, MapOfActions::getInstance().getDescription("bin-width"));
    60   dialog->queryDouble("bin-end", &BinEnd, MapOfActions::getInstance().getDescription("bin-end"));
    61   dialog->queryString("output-file", &outputname, MapOfActions::getInstance().getDescription("output-file"));
    62   dialog->queryString("bin-output-file", &binoutputname, MapOfActions::getInstance().getDescription("bin-output-file"));
    63   dialog->queryBoolean("periodic", &periodic, MapOfActions::getInstance().getDescription("periodic"));
     43  dialog->queryElement("elements", MapOfActions::getInstance().getDescription("elements"));
     44  dialog->queryDouble("bin-start", MapOfActions::getInstance().getDescription("bin-start"));
     45  dialog->queryDouble("bin-width", MapOfActions::getInstance().getDescription("bin-width"));
     46  dialog->queryDouble("bin-end", MapOfActions::getInstance().getDescription("bin-end"));
     47  dialog->queryString("output-file", MapOfActions::getInstance().getDescription("output-file"));
     48  dialog->queryString("bin-output-file", MapOfActions::getInstance().getDescription("bin-output-file"));
     49  dialog->queryBoolean("periodic", MapOfActions::getInstance().getDescription("periodic"));
    6450
    6551  return dialog;

  • src/Actions/AnalysisAction/PointCorrelationAction.cpp

    r75dc28 rca1ba5  
    4040Dialog* AnalysisPointCorrelationAction::createDialog() {
    4141  Dialog *dialog = UIFactory::getInstance().makeDialog();
    42   int ranges[3] = {1, 1, 1};
    43   double BinEnd = 0.;
    44   double BinStart = 0.;
    45   double BinWidth = 0.;
    46   molecule *Boundary = NULL;
    47   string outputname;
    48   string binoutputname;
    49   bool periodic;
    50   ofstream output;
    51   ofstream binoutput;
    52   std::vector< element *> elements;
    53   string type;
    54   Vector Point;
    55   BinPairMap *binmap = NULL;
    5642
    57   dialog->queryVector("position", &Point, false, MapOfActions::getInstance().getDescription("position"));
    58   dialog->queryElement("elements", &elements, MapOfActions::getInstance().getDescription("elements"));
    59   dialog->queryDouble("bin-start", &BinStart, MapOfActions::getInstance().getDescription("bin-start"));
    60   dialog->queryDouble("bin-width", &BinWidth, MapOfActions::getInstance().getDescription("bin-width"));
    61   dialog->queryDouble("bin-end", &BinEnd, MapOfActions::getInstance().getDescription("bin-end"));
    62   dialog->queryString("output-file", &outputname, MapOfActions::getInstance().getDescription("output-file"));
    63   dialog->queryString("bin-output-file", &binoutputname, MapOfActions::getInstance().getDescription("bin-output-file"));
    64   dialog->queryBoolean("periodic", &periodic, MapOfActions::getInstance().getDescription("periodic"));
     43  dialog->queryVector("position", false, MapOfActions::getInstance().getDescription("position"));
     44  dialog->queryElement("elements", MapOfActions::getInstance().getDescription("elements"));
     45  dialog->queryDouble("bin-start", MapOfActions::getInstance().getDescription("bin-start"));
     46  dialog->queryDouble("bin-width", MapOfActions::getInstance().getDescription("bin-width"));
     47  dialog->queryDouble("bin-end", MapOfActions::getInstance().getDescription("bin-end"));
     48  dialog->queryString("output-file", MapOfActions::getInstance().getDescription("output-file"));
     49  dialog->queryString("bin-output-file", MapOfActions::getInstance().getDescription("bin-output-file"));
     50  dialog->queryBoolean("periodic", MapOfActions::getInstance().getDescription("periodic"));
    6551
    6652  return dialog;

  • src/Actions/AnalysisAction/PrincipalAxisSystemAction.cpp

    r75dc28 rca1ba5  
    3131{}
    3232
     33Dialog* AnalysisPrincipalAxisSystemAction::createDialog() {
     34  Dialog *dialog = UIFactory::getInstance().makeDialog();
     35
     36  dialog->queryMolecule(NAME, MapOfActions::getInstance().getDescription(NAME));
     37
     38  return dialog;
     39}
     40
    3341Action::state_ptr AnalysisPrincipalAxisSystemAction::performCall() {
    34   Dialog *dialog = UIFactory::getInstance().makeDialog();
    3542  molecule *mol = NULL;
    3643
    37   dialog->queryMolecule(NAME, &mol, MapOfActions::getInstance().getDescription(NAME));
    38 
    39   if(dialog->display()) {
    40     DoLog(0) && (Log() << Verbose(0) << "Evaluating prinicipal axis." << endl);
    41     mol->PrincipalAxisSystem(false);
    42     delete dialog;
    43     return Action::success;
    44   } else {
    45     delete dialog;
    46     return Action::failure;
    47   }
     44  MapOfActions::getInstance().queryCurrentValue(NAME, mol);
     45  DoLog(0) && (Log() << Verbose(0) << "Evaluating prinicipal axis." << endl);
     46  mol->PrincipalAxisSystem(false);
     47  return Action::success;
    4848}
    4949
    5050Action::state_ptr AnalysisPrincipalAxisSystemAction::performUndo(Action::state_ptr _state) {
    51 //  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
    52 
    53   return Action::failure;
    54 //  string newName = state->mol->getName();
    55 //  state->mol->setName(state->lastName);
    56 //
    57 //  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
     51  return Action::success;
    5852}
    5953
    6054Action::state_ptr AnalysisPrincipalAxisSystemAction::performRedo(Action::state_ptr _state){
    61   return Action::failure;
     55  return Action::success;
    6256}
    6357
    6458bool AnalysisPrincipalAxisSystemAction::canUndo() {
    65   return false;
     59  return true;
    6660}
    6761
    6862bool AnalysisPrincipalAxisSystemAction::shouldUndo() {
    69   return false;
     63  return true;
    7064}
    7165

  • src/Actions/AnalysisAction/PrincipalAxisSystemAction.hpp

    r75dc28 rca1ba5  
    2121  virtual const std::string getName();
    2222private:
     23  virtual Dialog * createDialog();
    2324  virtual Action::state_ptr performCall();
    2425  virtual Action::state_ptr performUndo(Action::state_ptr);

  • src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp

    r75dc28 rca1ba5  
    4040Dialog* AnalysisSurfaceCorrelationAction::createDialog() {
    4141  Dialog *dialog = UIFactory::getInstance().makeDialog();
    42   int ranges[3] = {1, 1, 1};
    43   double BinEnd = 0.;
    44   double BinStart = 0.;
    45   double BinWidth = 0.;
    46   molecule *Boundary = NULL;
    47   string outputname;
    48   string binoutputname;
    49   bool periodic;
    50   ofstream output;
    51   ofstream binoutput;
    52   std::vector< element *> elements;
    53   string type;
    54   Vector Point;
    55   BinPairMap *binmap = NULL;
    5642
    57   dialog->queryMolecule("molecule-by-id", &Boundary, MapOfActions::getInstance().getDescription("molecule-by-id"));
    58   dialog->queryElement("elements", &elements, MapOfActions::getInstance().getDescription("elements"));
    59   dialog->queryDouble("bin-start", &BinStart, MapOfActions::getInstance().getDescription("bin-start"));
    60   dialog->queryDouble("bin-width", &BinWidth, MapOfActions::getInstance().getDescription("bin-width"));
    61   dialog->queryDouble("bin-end", &BinEnd, MapOfActions::getInstance().getDescription("bin-end"));
    62   dialog->queryString("output-file", &outputname, MapOfActions::getInstance().getDescription("output-file"));
    63   dialog->queryString("bin-output-file", &binoutputname, MapOfActions::getInstance().getDescription("bin-output-file"));
    64   dialog->queryBoolean("periodic", &periodic, MapOfActions::getInstance().getDescription("periodic"));
     43  dialog->queryMolecule("molecule-by-id", MapOfActions::getInstance().getDescription("molecule-by-id"));
     44  dialog->queryElement("elements", MapOfActions::getInstance().getDescription("elements"));
     45  dialog->queryDouble("bin-start", MapOfActions::getInstance().getDescription("bin-start"));
     46  dialog->queryDouble("bin-width", MapOfActions::getInstance().getDescription("bin-width"));
     47  dialog->queryDouble("bin-end", MapOfActions::getInstance().getDescription("bin-end"));
     48  dialog->queryString("output-file", MapOfActions::getInstance().getDescription("output-file"));
     49  dialog->queryString("bin-output-file", MapOfActions::getInstance().getDescription("bin-output-file"));
     50  dialog->queryBoolean("periodic", MapOfActions::getInstance().getDescription("periodic"));
    6551
    6652  return dialog;
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