Changeset c96c66 for src

Timestamp:

Oct 25, 2010, 8:32:49 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:

41167c

Parents:

ee62e4

Message:

Added Atom(s)QTQuery.

Location:

src/UIElements/QT4

Files:

• QTDialog.cpp (modified) (5 diffs)
• QTDialog.hpp (modified) (2 diffs)

src/UIElements/QT4/QTDialog.cpp

@@ -108 +108 @@
 }
 
-void QTDialog::queryAtom(const char*, std::string){
+void QTDialog::queryAtom(const char* title, std::string)
+{
+  registerQuery(new AtomQTQuery(title,inputLayout,this));
+}
+
+void QTDialog::queryAtoms(const char* title, std::string)
+{
+  registerQuery(new AtomsQTQuery(title,inputLayout,this));
+}
+
+void QTDialog::queryBox(const char* title, std::string){
   // TODO
   ASSERT(false, "Not implemented yet");
 }
 
-void QTDialog::queryAtoms(const char*, std::string){
+
+void QTDialog::queryInt(const char *title,string)
+{
+  registerQuery(new IntQTQuery(title,inputLayout,this));
+}
+
+void QTDialog::queryInts(const char *title,string)
+{
+  registerQuery(new IntsQTQuery(title,inputLayout,this));
+}
+
+void QTDialog::queryDouble(const char* title,string)
+{
+  registerQuery(new DoubleQTQuery(title,inputLayout,this));
+}
+
+void QTDialog::queryDoubles(const char* title,string)
+{
+  registerQuery(new DoublesQTQuery(title,inputLayout,this));
+}
+
+void QTDialog::queryString(const char* title,string)
+{
+  registerQuery(new StringQTQuery(title,inputLayout,this));
+}
+
+void QTDialog::queryStrings(const char* title,string)
+{
+  registerQuery(new StringsQTQuery(title,inputLayout,this));
+}
+
+void QTDialog::queryMolecule(const char *title,string)
+{
+  registerQuery(new MoleculeQTQuery(title,inputLayout,this));
+}
+
+void QTDialog::queryMolecules(const char *title,string)
+{
   // TODO
   ASSERT(false, "Not implemented yet");
 }
 
-void QTDialog::queryBox(const char*, std::string){
+void QTDialog::queryVector(const char* title, bool check,string)
+{
+  registerQuery(new VectorQTQuery(title,check,inputLayout,this));
+}
+
+void QTDialog::queryVectors(const char* title, bool check,string)
+{
   // TODO
   ASSERT(false, "Not implemented yet");
 }
 
-
-void QTDialog::queryInt(const char *title,string)
-{
-  registerQuery(new IntQTQuery(title,inputLayout,this));
-}
-
-void QTDialog::queryInts(const char *title,string)
-{
-  registerQuery(new IntsQTQuery(title,inputLayout,this));
-}
-
-void QTDialog::queryDouble(const char* title,string)
-{
-  registerQuery(new DoubleQTQuery(title,inputLayout,this));
-}
-
-void QTDialog::queryDoubles(const char* title,string)
-{
-  registerQuery(new DoublesQTQuery(title,inputLayout,this));
-}
-
-void QTDialog::queryString(const char* title,string)
-{
-  registerQuery(new StringQTQuery(title,inputLayout,this));
-}
-
-void QTDialog::queryStrings(const char* title,string)
-{
-  registerQuery(new StringsQTQuery(title,inputLayout,this));
-}
-
-void QTDialog::queryMolecule(const char *title,string)
-{
-  registerQuery(new MoleculeQTQuery(title,inputLayout,this));
-}
-
-void QTDialog::queryMolecules(const char *title,string)
+void QTDialog::queryElement(const char* title, std::string)
+{
+  registerQuery(new ElementQTQuery(title,inputLayout,this));
+}
+
+void QTDialog::queryElements(const char* title, std::string)
 {
   // TODO
@@ -165 +187 @@
 }
 
-void QTDialog::queryVector(const char* title, bool check,string)
-{
-  registerQuery(new VectorQTQuery(title,check,inputLayout,this));
-}
-
-void QTDialog::queryVectors(const char* title, bool check,string)
-{
-  // TODO
-  ASSERT(false, "Not implemented yet");
-}
-
-void QTDialog::queryElement(const char* title, std::string)
-{
-  registerQuery(new ElementQTQuery(title,inputLayout,this));
-}
-
-void QTDialog::queryElements(const char* title, std::string)
-{
-  // TODO
-  ASSERT(false, "Not implemented yet");
-}
-
 void QTDialog::queryFile(const char* title, std::string)
 {
@@ -193 +193 @@
 
 /************************** Query Objects *******************************/
+
+QTDialog::AtomQTQuery::AtomQTQuery(string _title,QBoxLayout *_parent,QTDialog *_dialog) :
+    Dialog::AtomQuery(_title),
+    parent(_parent)
+{
+  thisLayout = new QHBoxLayout();
+  titleLabel = new QLabel(QString(getTitle().c_str()));
+  inputBox = new QComboBox();
+  inputBox->insertItem(-1, QString("no atom"));
+  std::vector<atom *> atoms = World::getInstance().getAllAtoms();
+  for (std::vector<atom *>::const_iterator iter = atoms.begin(); iter != atoms.end(); ++iter)
+    inputBox->insertItem((*iter)->getNr(),QString::fromStdString((*iter)->getName()));
+
+  parent->addLayout(thisLayout);
+  thisLayout->addWidget(titleLabel);
+  thisLayout->addWidget(inputBox);
+
+  pipe = new AtomQTQueryPipe(&tmp,_dialog, inputBox);
+  pipe->update(inputBox->currentIndex());
+  connect(inputBox,SIGNAL(currentIndexChanged(int)),pipe,SLOT(update(int)));
+}
+
+QTDialog::AtomQTQuery::~AtomQTQuery()
+{
+  delete pipe;
+}
+
+bool QTDialog::AtomQTQuery::handle() {
+  return true;
+}
+
+
+QTDialog::AtomsQTQuery::AtomsQTQuery(string _title,QBoxLayout *_parent,QTDialog *_dialog) :
+    Dialog::AtomsQuery(_title),
+    parent(_parent)
+{
+  QHBoxLayout * thisHLayout = new QHBoxLayout();
+  QVBoxLayout * thisV1Layout = new QVBoxLayout();
+  QVBoxLayout * thisV2Layout = new QVBoxLayout();
+
+  QLabel *titleLabel = new QLabel(QString(getTitle().c_str()));
+  QLabel *inputLabel = new QLabel("Enter to add");
+  QListWidget* inputList = new QListWidget();
+  inputList->setSelectionMode(QAbstractItemView::ExtendedSelection);
+  std::vector<atom *> atoms = World::getInstance().getAllAtoms();
+  for (std::vector<atom *>::const_iterator iter = atoms.begin(); iter != atoms.end(); ++iter)
+    inputBox->insertItem((*iter)->getNr(),QString((*iter)->getNr()));
+
+  QLineEdit* inputBox = new QLineEdit();
+  inputLabel->setBuddy(inputBox);
+  titleLabel->setBuddy(inputList);
+  QPushButton* AddButton = new QPushButton("Add");
+  AddButton->setEnabled(false);
+  QPushButton* RemoveButton = new QPushButton("Remove");
+  RemoveButton->setEnabled(false);
+
+  thisV1Layout->addWidget(titleLabel);
+  thisV1Layout->addWidget(inputList);
+  thisV2Layout->addWidget(inputLabel);
+  thisV2Layout->addWidget(inputBox);
+  thisV2Layout->addWidget(AddButton);
+  thisV2Layout->addWidget(RemoveButton);
+  parent->addLayout(thisHLayout);
+  thisHLayout->addLayout(thisV1Layout);
+  thisHLayout->addLayout(thisV2Layout);
+
+  pipe = new AtomsQTQueryPipe(&tmp,_dialog,inputList);
+  connect(inputList,SIGNAL(itemSelectionChanged()),pipe,SLOT(IntegerSelected()));
+  connect(AddButton,SIGNAL(Clicked()),pipe,SLOT(add()));
+  connect(RemoveButton,SIGNAL(Clicked()),pipe,SLOT(remove()));
+}
+
+QTDialog::AtomsQTQuery::~AtomsQTQuery()
+{
+  delete pipe;
+}
+
+bool QTDialog::AtomsQTQuery::handle() {
+  return true;
+}
 
 QTDialog::IntQTQuery::IntQTQuery(string _title,QBoxLayout *_parent,QTDialog *_dialog) :
@@ -868 +948 @@
 
 
-AtomsQTQueryPipe::AtomsQTQueryPipe(std::vector<atom *>*_content, QTDialog *_dialog, QComboBox *_theBox) :
+AtomsQTQueryPipe::AtomsQTQueryPipe(std::vector<atom *>*_content, QTDialog *_dialog, QListWidget *_theList) :
   content(_content),
   dialog(_dialog),
-  theBox(_theBox)
+  theList(_theList)
 {}
 
@@ -877 +957 @@
 {}
 
-void AtomsQTQueryPipe::update(int newIndex) {
-  QVariant data = theBox->itemData(newIndex);
-  int idx = data.toInt();
-  atom *Walker = World::getInstance().getAtom(AtomById(idx));
-  if (Walker)
-    (*content).push_back(Walker) ;
-  dialog->update();
+void AtomsQTQueryPipe::update() {
+  // clear target and put all atoms therein
+  (*content).clear();
+  for (std::set<atom *>::iterator iter = currentList.begin(); iter != currentList.end(); ++iter)
+    (*content).push_back(*iter);
+  dialog->update();
+}
+
+void AtomsQTQueryPipe::add() {
+  QList<QListWidgetItem *> items = theList->selectedItems();
+  for (QList<QListWidgetItem *>::iterator iter = items.begin();iter != items.end();++iter) {
+    const int index = (*iter)->text().toInt();
+    atom *Walker = World::getInstance().getAtom(AtomById(index));
+    if (Walker) {
+      (*content).push_back(Walker);
+      currentList.insert(Walker);
+      if (lookup.find(index) != lookup.end())
+        lookup.insert(pair<int, atom*>(index, Walker));
+    }
+  }
+  update();
+}
+
+void AtomsQTQueryPipe::remove() {
+  QList<QListWidgetItem *> items = theList->selectedItems();
+  for (QList<QListWidgetItem *>::iterator iter = items.begin();iter != items.end();++iter) {
+    const int index = (*iter)->text().toInt();
+    atom *Walker = World::getInstance().getAtom(AtomById(index));
+    if (Walker) {
+      currentList.erase(Walker);
+    }
+  }
+  update();
 }
 

src/UIElements/QT4/QTDialog.hpp

@@ -14 +14 @@
 
 #include <boost/filesystem.hpp>
+
+#include <map>
+#include <set>
+#include <vector>
 
 class QBoxLayout;
@@ -422 +426 @@
   Q_OBJECT
 public:
-  AtomsQTQueryPipe(std::vector<atom *>*_content, QTDialog *_dialog, QComboBox *_theBox);
+  AtomsQTQueryPipe(std::vector<atom *>*_content, QTDialog *_dialog, QListWidget *_theList);
   virtual ~AtomsQTQueryPipe();
 
 public slots:
-  void update(int);
+  void update();
+  void add();
+  void remove();
 
 private:
   std::vector<atom *>*content;
-  QTDialog *dialog;
-  QComboBox *theBox;
+  std::map<int, atom *> lookup;
+  std::set<atom *> currentList;
+  QTDialog *dialog;
+  QListWidget *theList;
 
 };