Changeset 4aed01

Timestamp:

Sep 9, 2016, 10:09:47 AM (8 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, 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_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

d88397

Parents:

562b0a

git-author:

Frederik Heber <heber@…> (09/01/16 14:14:18)

git-committer:

Frederik Heber <heber@…> (09/09/16 10:09:47)

Message:

FragmentList's and QtHomologyList's numerical columns are now properly sorted.

• we need to reimplement operator<() by subclassing the QTreeWidgetItem.
• we define which columns are numerical and apply proper sorting by recast the contained text().

Location:

src/UIElements

Files:

• Makefile.am (modified) (2 diffs)
• Views/Qt4/QtFragmentList.cpp (modified) (4 diffs)
• Views/Qt4/QtHomologyList.cpp (modified) (4 diffs)
• Views/Qt4/QtNumericalItem.cpp (added)
• Views/Qt4/QtNumericalItem.hpp (added)

src/UIElements/Makefile.am

@@ -193 +193 @@
   UIElements/Views/Qt4/QtInfoBox.cpp \
   UIElements/Views/Qt4/QtLogBox.cpp \
+  UIElements/Views/Qt4/QtNumericalItem.cpp \
   UIElements/Views/Qt4/QtShapeController.cpp \
   UIElements/Views/Qt4/QtShapeList.cpp \
@@ -227 +228 @@
   UIElements/Views/Qt4/QtInfoBox.hpp \
   UIElements/Views/Qt4/QtLogBox.hpp \
+  UIElements/Views/Qt4/QtNumericalItem.hpp \
   UIElements/Views/Qt4/QtShapeController.hpp \
   UIElements/Views/Qt4/QtShapeList.hpp \

src/UIElements/Views/Qt4/QtFragmentList.cpp

@@ -34 +34 @@
 
 #include "Views/Qt4/QtFragmentList.hpp"
+#include "Views/Qt4/QtNumericalItem.hpp"
+
+#include <QAbstractItemView>
+
+#include "CodePatterns/MemDebug.hpp"
 
 #include <iterator>
 #include <iostream>
 
-#include <QAbstractItemView>
-
-#include "CodePatterns/MemDebug.hpp"
+#include <boost/assign.hpp>
 
 #include "CodePatterns/Log.hpp"
@@ -54 +57 @@
 using namespace std;
 
+using namespace boost::assign;
+
 const int QtFragmentList::COLUMNCOUNT = COLUMNTYPES_MAX;
 const char *QtFragmentList::COLUMNNAMES[QtFragmentList::COLUMNCOUNT]={"Number","KeySet","Formula","Energy value","Energy contribution"};
@@ -67 +72 @@
           header << COLUMNNAMES[i];
         setHeaderLabels(header);
-        sortByColumn(0);
+        sortByColumn(0, Qt::AscendingOrder);
 
         setSelectionMode( MultiSelection );
@@ -122 +127 @@
       ++keyiter,++resultiter,++count) {
 
-    QTreeWidgetItem *treeItem = new QTreeWidgetItem(this);
+    std::vector<int> numerical_columns;
+    numerical_columns += ENERGYVALUE, ENERGYCONTRIBUTION;
+    QTreeWidgetItem *treeItem = new QtNumericalItem(NUMBER, numerical_columns, this);
     treeItem->setText(NUMBER, QString::number(count));
     {

src/UIElements/Views/Qt4/QtHomologyList.cpp

@@ -34 +34 @@
 
 #include "Views/Qt4/QtHomologyList.hpp"
-
-#include <iterator>
-#include <iostream>
+#include "Views/Qt4/QtNumericalItem.hpp"
 
 #include <QAbstractItemView>
@@ -46 +44 @@
 
 #include "CodePatterns/MemDebug.hpp"
+
+#include <iterator>
+#include <iostream>
+
+#include <boost/assign.hpp>
 
 #include "CodePatterns/Log.hpp"
@@ -66 +69 @@
 
 using namespace std;
+
+using namespace boost::assign;
 
 const int QtHomologyList::COLUMNCOUNT = COLUMNTYPES_MAX;
@@ -178 +183 @@
 
     // create item
-    QTreeWidgetItem *treeItem = new QTreeWidgetItem(treewidget);
+    std::vector<int> numerical_columns;
+    numerical_columns += OCCURRENCE;
+    QTreeWidgetItem *treeItem = new QtNumericalItem(NUMBER, numerical_columns, treewidget);
     treeItem->setText(NUMBER, QString::number(count));
     {