Ignore:
Timestamp:
Jun 17, 2010, 2:55:56 PM (16 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, Candidate_v1.7.0, Candidate_v1.7.1, 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:
b47bfc
Parents:
992fd7 (diff), 5f5a7b (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 'stable' into QT4Refactoring

Conflicts:

molecuilder/src/Actions/TesselationAction/ConvexEnvelopeAction.hpp
molecuilder/src/Helpers/MemDebug.hpp
molecuilder/src/Makefile.am
molecuilder/src/UIElements/Dialog.cpp
molecuilder/src/UIElements/MainWindow.cpp
molecuilder/src/UIElements/TextUI/TextUIFactory.cpp
molecuilder/src/builder.cpp

File:
1 edited

Legend:

Unmodified
Added
Removed

  • src/UIElements/QT4/QTDialog.cpp

    r992fd7 r257c77  
    2121#include <Qt/qcombobox.h>
    2222
     23#include "Helpers/MemDebug.hpp"
     24
    2325#include "World.hpp"
    2426#include "periodentafel.hpp"
    … …  
    2628#include "element.hpp"
    2729#include "molecule.hpp"
    28 #include "Helpers/MemDebug.hpp"
     30#include "Descriptors/MoleculeIdDescriptor.hpp"
    2931
    3032
    … …  
    7678/************************** Query Infrastructure ************************/
    7779
    78 void QTDialog::queryInt(const char *title, int *target)
     80void QTDialog::queryEmpty(char const*, string){
     81  // TODO
     82  ASSERT(false, "Not implemented yet");
     83}
     84
     85void QTDialog::queryBoolean(char const*, bool*,string){
     86  // TODO
     87  ASSERT(false, "Not implemented yet");
     88}
     89
     90void QTDialog::queryAtom(char const*, atom**, string){
     91  // TODO
     92  ASSERT(false, "Not implemented yet");
     93}
     94
     95void QTDialog::queryBox(char const*, double**, string){
     96  // TODO
     97  ASSERT(false, "Not implemented yet");
     98}
     99
     100
     101void QTDialog::queryInt(const char *title, int *target,string)
    79102{
    80103  registerQuery(new IntQTQuery(title,target,inputLayout,this));
    81104}
    82105
    83 void QTDialog::queryDouble(const char* title, double* target){
     106void QTDialog::queryDouble(const char* title, double* target,string){
    84107  registerQuery(new DoubleQTQuery(title,target,inputLayout,this));
    85108}
    86109
    87 void QTDialog::queryString(const char* title, std::string *target)
     110void QTDialog::queryString(const char* title, std::string *target,string)
    88111{
    89112  registerQuery(new StringQTQuery(title,target,inputLayout,this));
    90113}
    91114
    92 void QTDialog::queryMolecule(const char *title,molecule **target,MoleculeListClass *molecules)
    93 {
    94   registerQuery(new MoleculeQTQuery(title,target,molecules,inputLayout,this));
    95 }
    96 
    97 void QTDialog::queryVector(const char* title, Vector *target,const double *const cellSize, bool check) {
     115void QTDialog::queryMolecule(const char *title,molecule **target,string)
     116{
     117  registerQuery(new MoleculeQTQuery(title,target,inputLayout,this));
     118}
     119
     120void QTDialog::queryVector(const char* title, Vector *target,const double *const cellSize, bool check,string) {
    98121  registerQuery(new VectorQTQuery(title,target,cellSize,check,inputLayout,this));
    99122}
    100123
    101 void QTDialog::queryElement(const char* title, const element **target){
     124void QTDialog::queryElement(const char* title, std::vector<element *> *target,string){
    102125  registerQuery(new ElementQTQuery(title,target,inputLayout,this));
    103126}
    … …  
    189212}
    190213
    191 QTDialog::MoleculeQTQuery::MoleculeQTQuery(string _title, molecule **_target, MoleculeListClass *_molecules, QBoxLayout *_parent,QTDialog *_dialog) :
    192     Dialog::MoleculeQuery(_title,_target,_molecules),
    193     parent(_parent)
    194 {
    195   MoleculeList::iterator iter;
     214QTDialog::MoleculeQTQuery::MoleculeQTQuery(string _title, molecule **_target, QBoxLayout *_parent,QTDialog *_dialog) :
     215    Dialog::MoleculeQuery(_title,_target),
     216    parent(_parent)
     217{
    196218  thisLayout = new QHBoxLayout();
    197219  titleLabel = new QLabel(QString(getTitle().c_str()));
    198220  inputBox = new QComboBox();
    199221  // add all molecules to the combo box
    200   for(iter  = molecules->ListOfMolecules.begin();
    201       iter != molecules->ListOfMolecules.end();
     222  vector<molecule*> molecules = World::getInstance().getAllMolecules();
     223  for(vector<molecule*>::iterator iter  = molecules.begin();
     224      iter != molecules.end();
    202225      ++iter) {
    203226    stringstream sstr;
    … …  
    209232  thisLayout->addWidget(inputBox);
    210233
    211   pipe = new MoleculeQTQueryPipe(&tmp,_dialog,inputBox,_molecules);
     234  pipe = new MoleculeQTQueryPipe(&tmp,_dialog,inputBox);
    212235  pipe->update(inputBox->currentIndex());
    213236  connect(inputBox,SIGNAL(currentIndexChanged(int)),pipe,SLOT(update(int)));
    … …  
    263286
    264287
    265 QTDialog::ElementQTQuery::ElementQTQuery(std::string _title, const element **_target, QBoxLayout *_parent, QTDialog *_dialog) :
     288QTDialog::ElementQTQuery::ElementQTQuery(std::string _title, vector<element *> *_target, QBoxLayout *_parent, QTDialog *_dialog) :
    266289    Dialog::ElementQuery(_title,_target),
    267290    parent(_parent)
    … …  
    283306  thisLayout->addWidget(inputBox);
    284307
    285   pipe = new ElementQTQueryPipe(&tmp,_dialog,inputBox);
     308  pipe = new ElementQTQueryPipe(&elements,_dialog,inputBox);
    286309  pipe->update(inputBox->currentIndex());
    287310  connect(inputBox,SIGNAL(currentIndexChanged(int)),pipe,SLOT(update(int)));
    … …  
    338361}
    339362
    340 MoleculeQTQueryPipe::MoleculeQTQueryPipe(molecule **_content, QTDialog *_dialog, QComboBox *_theBox, MoleculeListClass *_molecules) :
     363MoleculeQTQueryPipe::MoleculeQTQueryPipe(molecule **_content, QTDialog *_dialog, QComboBox *_theBox) :
    341364  content(_content),
    342365  dialog(_dialog),
    343   theBox(_theBox),
    344   molecules(_molecules)
     366  theBox(_theBox)
    345367{}
    346368
    … …  
    351373  QVariant data = theBox->itemData(newIndex);
    352374  int idx = data.toInt();
    353   (*content) = molecules->ReturnIndex(idx);
    354   dialog->update();
    355 }
    356 
    357 ElementQTQueryPipe::ElementQTQueryPipe(const element **_content, QTDialog *_dialog, QComboBox *_theBox) :
     375  (*content) = World::getInstance().getMolecule(MoleculeById(idx));
     376  dialog->update();
     377}
     378
     379ElementQTQueryPipe::ElementQTQueryPipe(std::vector<element *> *_content, QTDialog *_dialog, QComboBox *_theBox) :
    358380  content(_content),
    359381  dialog(_dialog),
    360382  theBox(_theBox)
    361 {}
     383{
     384  content->resize(1);
     385}
    362386
    363387ElementQTQueryPipe::~ElementQTQueryPipe()
    … …  
    367391  QVariant data = theBox->itemData(newIndex);
    368392  int idx = data.toInt();
    369   (*content) = World::getInstance().getPeriode()->FindElement(idx);
    370   dialog->update();
    371 }
    372 
     393  (*content)[0] = World::getInstance().getPeriode()->FindElement(idx);
     394  dialog->update();
     395}
     396
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