Changeset e6317b for src/UIElements/CommandLineUI/CommandLineWindow.cpp

Timestamp:

Jun 16, 2010, 12:24:21 PM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

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, Candidate_v1.7.0, 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:

492279

Parents:

f8e486 (diff), 980dd6 (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Broken: Merge commit 'Gitosis/stable' into stable

Conflicts:

molecuilder/src/Actions/AnalysisAction/PairCorrelationToPointAction.cpp
molecuilder/src/Actions/AnalysisAction/PairCorrelationToSurfaceAction.cpp
molecuilder/src/Makefile.am

File:

• src/UIElements/CommandLineUI/CommandLineWindow.cpp (modified) (8 diffs)

src/UIElements/CommandLineUI/CommandLineWindow.cpp

@@ -14 +14 @@
 
 #include "Actions/ActionRegistry.hpp"
+#include "Actions/AnalysisAction/MolecularVolumeAction.hpp"
 #include "Actions/AnalysisAction/PairCorrelationAction.hpp"
-#include "Actions/AnalysisAction/PairCorrelationToPointAction.hpp"
-#include "Actions/AnalysisAction/PairCorrelationToSurfaceAction.hpp"
+#include "Actions/AnalysisAction/PrincipalAxisSystemAction.hpp"
 #include "Actions/AtomAction/AddAction.hpp"
 #include "Actions/AtomAction/ChangeElementAction.hpp"
@@ -28 +28 @@
 #include "Actions/FragmentationAction/DepthFirstSearchAction.hpp"
 #include "Actions/FragmentationAction/SubgraphDissectionAction.hpp"
+#include "Actions/FragmentationAction/FragmentationAction.hpp"
 #include "Actions/MoleculeAction/BondFileAction.hpp"
 #include "Actions/MoleculeAction/ChangeNameAction.hpp"
@@ -35 +36 @@
 #include "Actions/MoleculeAction/SaveBondsAction.hpp"
 #include "Actions/MoleculeAction/SaveTemperatureAction.hpp"
+#include "Actions/MoleculeAction/TranslateAction.hpp"
 #include "Actions/MoleculeAction/VerletIntegrationAction.hpp"
 #include "Actions/ParserAction/LoadXyzAction.hpp"
@@ -75 +77 @@
 CommandLineWindow::~CommandLineWindow()
 {
-//  // go through all possible actions
-//  for(std::map<const std::string,Action*>::iterator ActionRunner = ActionRegistry::getInstance().getBeginIter(); ActionRegistry::getInstance().getBeginIter() != ActionRegistry::getInstance().getEndIter(); ActionRunner = ActionRegistry::getInstance().getBeginIter()) {
-//    ActionRegistry::getInstance().unregisterAction(ActionRunner->second);
-//    delete(ActionRunner->second);
-//  }
-
   delete statusIndicator;
 }
@@ -86 +82 @@
 void CommandLineWindow::display() {
   // go through all possible actions
-  for(std::map<const std::string,Action*>::iterator ActionRunner = ActionRegistry::getInstance().getBeginIter(); ActionRunner != ActionRegistry::getInstance().getEndIter(); ActionRunner++) {
-    // check whether action is present in command line
-    if (CommandLineParser::getInstance().vm.count(ActionRunner->first)) {
-      ActionRunner->second->call();
-    }
+  for (std::list<std::string>::iterator CommandRunner = CommandLineParser::getInstance().SequenceOfActions.begin(); CommandRunner != CommandLineParser::getInstance().SequenceOfActions.end(); ++CommandRunner) {
+    cout << "Checking presence of " << *CommandRunner << endl;
+    if (ActionRegistry::getInstance().isActionByNamePresent(*CommandRunner))
+      ActionRegistry::getInstance().getActionByName(*CommandRunner)->call();
   }
 }
@@ -96 +91 @@
 void CommandLineWindow::populateAnalysisActions()
 {
+  new AnalysisMolecularVolumeAction();
   new AnalysisPairCorrelationAction();
-  new AnalysisPairCorrelationToPointAction();
-  new AnalysisPairCorrelationToSurfaceAction();
+  new AnalysisPrincipalAxisSystemAction();
 }
 
@@ -121 +116 @@
 {
   new FragmentationDepthFirstSearchAction();
+  new FragmentationFragmentationAction();
+  new FragmentationSubgraphDissectionAction();
 }
 
@@ -132 +129 @@
   new MoleculeSaveBondsAction();
   new MoleculeSaveTemperatureAction();
+  new MoleculeTranslateAction();
   new MoleculeVerletIntegrationAction();
 }