Changeset 5ec8e3 for src/UIElements/QT4

Timestamp:

Jul 2, 2010, 9:51:01 AM (15 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, 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:

36166d

Parents:

56fb09 (diff), 7ac4af (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:

Merge branch 'VectorRefactoring' into StructureRefactoring

Conflicts:

molecuilder/src/Makefile.am

Location:

src/UIElements/QT4

Files:

• QTDialog.cpp (modified) (6 diffs)
• QTDialog.hpp (modified) (2 diffs)

src/UIElements/QT4/QTDialog.cpp

@@ -29 +29 @@
 #include "molecule.hpp"
 #include "Descriptors/MoleculeIdDescriptor.hpp"
+#include "Matrix.hpp"
+#include "Box.hpp"
 
 
@@ -93 +95 @@
 }
 
-void QTDialog::queryBox(char const*, double**, string){
+void QTDialog::queryBox(char const*, Box*, string){
   // TODO
   ASSERT(false, "Not implemented yet");
@@ -118 +120 @@
 }
 
-void QTDialog::queryVector(const char* title, Vector *target,const double *const cellSize, bool check,string) {
-  registerQuery(new VectorQTQuery(title,target,cellSize,check,inputLayout,this));
+void QTDialog::queryVector(const char* title, Vector *target, bool check,string) {
+  registerQuery(new VectorQTQuery(title,target,check,inputLayout,this));
 }
 
@@ -248 +250 @@
 }
 
-QTDialog::VectorQTQuery::VectorQTQuery(std::string title, Vector *_target, const double *const _cellSize, bool _check,QBoxLayout *_parent,QTDialog *_dialog) :
-    Dialog::VectorQuery(title,_target,_cellSize,_check),
-    parent(_parent)
-{
-  // About the j: I don't know why it was done this way, but it was used this way in Vector::AskPosition, so I reused it
-  int j = -1;
+QTDialog::VectorQTQuery::VectorQTQuery(std::string title, Vector *_target, bool _check,QBoxLayout *_parent,QTDialog *_dialog) :
+    Dialog::VectorQuery(title,_target,_check),
+    parent(_parent)
+{
+  const Matrix& M = World::getInstance().getDomain().getM();
   const char *coords[3] = {"x:","y:","z:"};
   mainLayout= new QHBoxLayout();
@@ -261 +262 @@
   mainLayout->addLayout(subLayout);
   for(int i=0; i<3; i++) {
-    j+=i+1;
     coordLayout[i] = new QHBoxLayout();
     subLayout->addLayout(coordLayout[i]);
@@ -267 +267 @@
     coordLayout[i]->addWidget(coordLabel[i]);
     coordInput[i] = new QDoubleSpinBox();
-    coordInput[i]->setRange(0,cellSize[j]);
+    coordInput[i]->setRange(0,M.at(i,i));
     coordInput[i]->setDecimals(3);
     coordLayout[i]->addWidget(coordInput[i]);

src/UIElements/QT4/QTDialog.hpp

@@ -42 +42 @@
   virtual void queryAtom(const char*,atom**,std::string = "");
   virtual void queryMolecule(const char*,molecule**,std::string = "");
-  virtual void queryVector(const char*,Vector *,const double *const,bool,std::string = "");
-  virtual void queryBox(const char*,double ** const, std::string = "");
+  virtual void queryVector(const char*,Vector *,bool,std::string = "");
+  virtual void queryBox(const char*,Box*, std::string = "");
   virtual void queryElement(const char*,std::vector<element *> *_target,std::string = "");
 
@@ -109 +109 @@
     class VectorQTQuery : public Dialog::VectorQuery {
     public:
-      VectorQTQuery(std::string title,Vector *_target,const double *const _cellSize,bool _check,QBoxLayout *,QTDialog *);
+      VectorQTQuery(std::string title,Vector *_target,bool _check,QBoxLayout *,QTDialog *);
       virtual ~VectorQTQuery();
       virtual bool handle();