Changeset 07b800 for src

Timestamp:

Aug 5, 2015, 5:32:11 PM (9 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:

5b61e5

Parents:

a39d72

git-author:

Frederik Heber <heber@…> (07/19/15 12:01:14)

git-committer:

Frederik Heber <heber@…> (08/05/15 17:32:11)

Message:

FIX: Setting molecule's name via QtMoleculeList item is again possible.

• this is similar to checkForVisibilityChange(), only now for the name.
• we required four Actions, i.e. this cannot be undone in a single step but needs four. However, right now it is not easily possible to construct MakroActions from inside the code at compile-time as we do not have access to modify parameters via their tokens.
• using constructed MakroAction in QtMoleculeList for name change.

Location:

src/UIElements/Views/Qt4/MoleculeList

Files:

• QtMoleculeList.cpp (modified) (3 diffs)
• QtMoleculeList.hpp (modified) (1 diff)

src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.cpp

@@ -51 +51 @@
 
 #include "Atom/atom.hpp"
+#include "Actions/MoleculeAction/ChangeNameAction.hpp"
+#include "Actions/SelectionAction/Molecules/PopMoleculesAction.hpp"
+#include "Actions/SelectionAction/Molecules/PushMoleculesAction.hpp"
+#include "Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp"
+#include "Actions/ActionQueue.hpp"
+#include "Actions/ActionSequence.hpp"
+#include "Actions/ActionTrait.hpp"
+#include "Actions/MakroAction.hpp"
 #include "Descriptors/MoleculeIdDescriptor.hpp"
 #include "Formula.hpp"
@@ -73 +81 @@
   refill();
 
-//  qRegisterMetaType<QItemSelection>("QItemSelection");
-  //connect(this,SIGNAL(cellChanged(int,int)),this,SLOT(moleculeChanged(int,int)));
-//  connect(selectionModel(),SIGNAL(selectionChanged(QItemSelection, QItemSelection)),this,SLOT(rowsSelected(QItemSelection, QItemSelection)));
+  connect(this,SIGNAL(itemChanged(QStandardItem*)),this,SLOT(moleculeNameChanged(QStandardItem*)));
   connect(this, SIGNAL(itemChanged(QStandardItem*)), this, SLOT(checkForVisibilityChange(QStandardItem*)), Qt::DirectConnection);
 }
@@ -507 +513 @@
 }
 
-
-void QtMoleculeList::moleculeChanged() {
-  /*int idx = verticalHeaderItem(row)->data(Qt::UserRole).toInt();
-  molecule *mol = molecules->ReturnIndex(idx);
-  string cellValue = item(row,QtMoleculeItem::NAME)->text().toStdString();
-  if(mol->getName() != cellValue && cellValue !="") {
-    mol->setName(cellValue);
-  }
-  else if(cellValue==""){
-    item(row,QtMoleculeItem::NAME)->setText(QString(mol->getName().c_str()));
-  }*/
+static
+MoleCuilder::MakroAction *constructMakroRenameAction(
+    MoleCuilder::ActionSequence &sequence,
+    const std::string &_new_name,
+    const moleculeId_t _molid
+    )
+{
+  MoleCuilder::ActionQueue &AQ = MoleCuilder::ActionQueue::getInstance();
+  MoleCuilder::ActionTrait trait("change-single-molecule-name");
+  sequence.addAction(AQ.getActionByName("push-molecule-selection").clone(MoleCuilder::Action::NonInteractive));
+  MoleCuilder::Action * const selectaction =
+      AQ.getActionByName("select-molecule-by-id").clone(MoleCuilder::Action::NonInteractive);
+  {
+    std::stringstream molid_string;
+    molid_string << toString(_molid);
+    selectaction->setOptionValue("select-molecule-by-id", molid_string.str());
+  }
+  sequence.addAction(selectaction);
+  MoleCuilder::Action * const changeaction =
+      AQ.getActionByName("change-molname").clone(MoleCuilder::Action::NonInteractive);
+  changeaction->setOptionValue("change-molname", _new_name);
+  sequence.addAction(changeaction);
+  sequence.addAction(AQ.getActionByName("pop-molecule-selection").clone(MoleCuilder::Action::NonInteractive));
+
+  MoleCuilder::MakroAction* makroaction =
+      new MoleCuilder::MakroAction(trait, sequence);
+  return makroaction;
+}
+
+void QtMoleculeList::moleculeNameChanged(QStandardItem* item)
+{
+  boost::recursive_mutex::scoped_lock lock(refill_mutex);
+  // obtain molecule id
+  if ( item->index().column() == QtMoleculeItem::NAME) {
+    QtMoleculeItem *molitem = assert_cast<QtMoleculeItem *>(item);
+    MoleculeItemBiMap_t::right_const_iterator iter = MoleculeItemBiMap.right.find(molitem);
+    ASSERT( iter != MoleculeItemBiMap.right.end(),
+        "QtMoleculeList::moleculeChanged() - name of unknown molecule changed.");
+    const moleculeId_t molid = iter->second;
+    // change the name
+    molecule * const mol = World::getInstance().getMolecule(MoleculeById(molid));
+    std::string cellValue = item->text().toStdString();
+    if ((mol->getName() != cellValue) && (!cellValue.empty())) {
+      // create actions such that we may undo
+      static MoleCuilder::ActionSequence sequence;
+      MoleCuilder::MakroAction *makroaction =
+          constructMakroRenameAction(sequence, cellValue, molid);
+      MoleCuilder::ActionQueue &AQ = MoleCuilder::ActionQueue::getInstance();
+      AQ.registerAction(makroaction);
+      AQ.queueAction("change-single-molecule-name", MoleCuilder::Action::NonInteractive);
+    } else if(cellValue=="") {
+      item->setText(QString(mol->getName().c_str()));
+    }
+}
 }
 

src/UIElements/Views/Qt4/MoleculeList/QtMoleculeList.hpp

@@ -54 +54 @@
 
 private slots:
-  void moleculeChanged();
-//  void visibilityChanged(QStandardItem*, int);
+  void moleculeNameChanged(QStandardItem*);
   void checkForVisibilityChange(QStandardItem*);
   void checkState();