Changeset 26cf17 for src/UIElements

Timestamp:

Aug 11, 2010, 9:41:20 AM (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:

b0b086

Parents:

81a9bc

Message:

Added Formula WidgetItem to QTWorldView.

• int are converted to QString by QString::number()
• new entry FORMULA in QTWorldView::COLUMNTYPES and added in constructor out of molecule::formula.

Location:

src/UIElements/Views/QT4

Files:

• QTWorldView.cpp (modified) (4 diffs)
• QTWorldView.hpp (modified) (1 diff)

src/UIElements/Views/QT4/QTWorldView.cpp

@@ -18 +18 @@
 
 #include "atom.hpp"
+#include "Formula.hpp"
 #include "molecule.hpp"
 
@@ -27 +28 @@
 // these attributes are skiped so far
 const int QTWorldView::COLUMNCOUNT = COLUMNTYPES_MAX;
-const char *QTWorldView::COLUMNNAMES[QTWorldView::COLUMNCOUNT]={"Name","Atoms"/*,"Formula"*//*,"Size"*/};
+const char *QTWorldView::COLUMNNAMES[QTWorldView::COLUMNCOUNT]={"Name","Atoms","Formula"/*,"Size"*/};
 
 QTWorldView::QTWorldView(QWidget * _parent) :
@@ -68 +69 @@
     const int index = (*iter)->IndexNr;
     QTableWidgetItem *indexWidget = new QTableWidgetItem();
-    // there probably is an easier method to convert ints to QStrings... but i didn't find it
-    stringstream idxsstr;
-    idxsstr << index;
-    indexWidget->setText(QString(idxsstr.str().c_str()));
+    indexWidget->setText(QString::number(index));
     indexWidget->setData(Qt::UserRole,QVariant(index));
     setVerticalHeaderItem(i,indexWidget);
@@ -82 +80 @@
     const int atomCount = (*iter)->getAtomCount();
     QTableWidgetItem *countWidget= new QTableWidgetItem();
-    stringstream countsstr;
-    countsstr << atomCount;
-    countWidget->setText(QString(countsstr.str().c_str()));
+    countWidget->setText(QString::number(atomCount));
     countWidget->setFlags(Qt::ItemIsSelectable | Qt::ItemIsUserCheckable | Qt::ItemIsEnabled);
     setItem(i,ATOMS,countWidget);
+
+    const Formula formula = (*iter)->getFormula();
+    QTableWidgetItem *formulaWidget= new QTableWidgetItem();
+    formulaWidget->setText(QString(formula.toString().c_str()));
+    formulaWidget->setFlags(Qt::ItemIsSelectable | Qt::ItemIsUserCheckable | Qt::ItemIsEnabled);
+    setItem(i,ATOMS,formulaWidget);
 
     molSelection[i]=nameWidget->isSelected();

src/UIElements/Views/QT4/QTWorldView.hpp

@@ -28 +28 @@
 
   static const int COLUMNCOUNT;
-  enum {NAME,ATOMS,COLUMNTYPES_MAX} COLUMNTYPES;
+  enum {NAME,ATOMS,FORMULA,COLUMNTYPES_MAX} COLUMNTYPES;
   static const char *COLUMNNAMES[];