Changeset 4f7473 for src/UIElements/Views/Qt4

Timestamp:

Jul 17, 2012, 12:17:27 PM (13 years ago)

Author:

Michael Ankele <ankele@…>

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:

4a2f3e

Parents:

7b6bcfe

git-author:

Michael Ankele <ankele@…> (06/18/12 15:01:14)

git-committer:

Michael Ankele <ankele@…> (07/17/12 12:17:27)

Message:

QtMoleculeView: show some data

Location:

src/UIElements/Views/Qt4

Files:

• QtMoleculeView.cpp (modified) (5 diffs)
• QtMoleculeView.hpp (modified) (4 diffs)

src/UIElements/Views/Qt4/QtMoleculeView.cpp

@@ -21 +21 @@
 
 #include <iostream>
+#include <QAbstractItemView>
 
 #include "CodePatterns/MemDebug.hpp"
 
 #include "molecule.hpp"
+#include "Element/element.hpp"
 
 using namespace std;
@@ -90 +92 @@
   // Show new tabs.
   if (_atom){
-    page_atom = new QTAtomPage(_atom, "test");
-    addTab(page_atom, "atom...");
+    page_atom = new QTAtomPage(_atom);
+    addTab(page_atom, "Atom");
+
+    page_mol = new QTMoleculePage(_atom->getMolecule());
+    addTab(page_mol, "Molecule");
   }
 }
@@ -97 +102 @@
 /************************ Tab for single Atoms ********************/
 
-QTAtomPage::QTAtomPage(const atom *_atom,std::string _name) :
+static void addInfo(QTreeWidget *info, const QString &key, const QString &value)
+{
+  QTreeWidgetItem *treeItem = new QTreeWidgetItem(info);
+  treeItem->setText(0, key);
+  treeItem->setText(1, value);
+}
+
+QTAtomPage::QTAtomPage(const atom *_atom) :
   Observer("QTAtomPage"),
-  atomRef(_atom), name(_name)
+  atomRef(_atom)
 {
   atomRef->signOn(this);
+
+  info = new QTreeWidget(this);
+  info->setColumnCount(2);
+  QStringList header;
+  header << "data";
+  header << "value";
+  info->setHeaderLabels(header);
+
+  addInfo(info, "Element", QString(atomRef->getElement().getName().c_str()));
+  addInfo(info, "Mass", QString("%1").arg(atomRef->getMass()));
+  addInfo(info, "Charge", QString("%1").arg(atomRef->getCharge()));
+  addInfo(info, "Position", QString(toString(atomRef->getPosition()).c_str()));
+  addInfo(info, "Bonds", QString("%1").arg(atomRef->getListOfBonds().size()));
 }
 
@@ -120 +145 @@
 /************************ Tab for single Molecules *****************/
 
-QTMoleculePage::QTMoleculePage(const molecule *_mol, std::string _name) :
+QTMoleculePage::QTMoleculePage(const molecule *_mol) :
     Observer("QTMoleculePage"),
-    mol(_mol), name(_name)
+    mol(_mol)
 {
   mol->signOn(this);
+
+  info = new QTreeWidget(this);
+  info->setColumnCount(2);
+  QStringList header;
+  header << "data";
+  header << "value";
+  info->setHeaderLabels(header);
+
+  addInfo(info, "Name", QString(mol->getName().c_str()));
+  addInfo(info, "Formula", QString(mol->getFormula().toString().c_str()));
+  addInfo(info, "Atoms", QString("%1").arg(mol->getAtomCount()));
+  addInfo(info, "Bonds", QString("%1").arg(mol->getBondCount()));
 }
 
@@ -132 +169 @@
 
 void QTMoleculePage::update(Observable *subject){
-  if(name != mol->name){
-    name = mol->name;
-    emit nameChanged(this,name);
-  }
 }
 

src/UIElements/Views/Qt4/QtMoleculeView.hpp

@@ -17 +17 @@
 #include <string>
 #include <QtGui/QTabWidget>
+#include <QtGui/QTreeWidget>
 #include "CodePatterns/Observer/Observer.hpp"
 
@@ -49 +50 @@
   Q_OBJECT
 public:
-  QTAtomPage(const atom *_atom,std::string _name);
+  QTAtomPage(const atom *_atom);
   virtual ~QTAtomPage();
   void update(Observable *subject);
   void subjectKilled(Observable *subject);
 
-//public slots:
-//  void nameChanged(QTAtomPage*,std::string);
-
 private:
   const atom *atomRef;
-  std::string name;
+  QTreeWidget *info;
 };
 
@@ -68 +66 @@
   Q_OBJECT
 public:
-  QTMoleculePage(const molecule *_mol,std::string _name);
+  QTMoleculePage(const molecule *_mol);
   virtual ~QTMoleculePage();
 
@@ -74 +72 @@
   void subjectKilled(Observable *subject);
 
-signals:
-  void nameChanged(QTMoleculePage*,std::string);
-
 private:
   const molecule *mol;
-  std::string name;
+  QTreeWidget *info;
 };
 #endif /* MOLECULEVIEW_HPP_ */