Changeset 8df74d for src/UIElements/Qt4/QtDialog.cpp

Timestamp:

Oct 25, 2010, 5:16:19 PM (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:

573ca5, b295ca

Parents:

57a6ea1

git-author:

Frederik Heber <heber@…> (10/25/10 17:11:33)

git-committer:

Frederik Heber <heber@…> (10/25/10 17:16:19)

Message:

Split off all ...Query and ...Pipe boilerplate classes.

• each subclass in the dialog nor resides in its own file in a folder called Query (or Pipe).
• only submoduled (no header files created, except for templated QtQueryListPipe class)
• includes have been separated

File:

• src/UIElements/Qt4/QtDialog.cpp (modified) (2 diffs)

src/UIElements/Qt4/QtDialog.cpp

@@ -20 +20 @@
 #include "UIElements/Qt4/QtDialog.hpp"
 
-#include <boost/lexical_cast.hpp>
-
-#include <string>
-#include <sstream>
-#include <limits>
-
-#include <QtGui/QDoubleSpinBox>
+#include <QtGui/QDialogButtonBox>
+#include <Qt/qpushbutton.h>
 #include <Qt/qboxlayout.h>
-#include <Qt/qcombobox.h>
-#include <Qt/qdialogbuttonbox.h>
-#include <Qt/qlabel.h>
-#include <Qt/qlineedit.h>
-#include <Qt/qlistwidget.h>
-#include <Qt/qpushbutton.h>
-#include <Qt/qspinbox.h>
-#include <Qt/qtablewidget.h>
-
-#include <boost/lexical_cast.hpp>
 
 #include "Helpers/MemDebug.hpp"
-
-#include "World.hpp"
-#include "periodentafel.hpp"
-#include "atom.hpp"
-#include "element.hpp"
-#include "molecule.hpp"
-#include "Descriptors/AtomIdDescriptor.hpp"
-#include "Descriptors/MoleculeIdDescriptor.hpp"
-#include "LinearAlgebra/Matrix.hpp"
-#include "Box.hpp"
 
 
@@ -189 +164 @@
 }
 
-/************************** Query Objects *******************************/
+/************************** Query Infrastructure ************************/
+/*       ---> shifted to folder Query                                   */
+/************************************************************************/
 
-QtDialog::BoxQtQuery::BoxQtQuery(string _title,QBoxLayout *_parent,QtDialog *_dialog) :
-    Dialog::BoxQuery(_title),
-    parent(_parent)
-{
-  thisLayout = new QHBoxLayout();
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-
-  // init input table
-  inputTable = new QTableWidget(3,3, _dialog);
-  QStringList CoordinateList;
-  CoordinateList << "x" << "y" << "z";
-  inputTable->setHorizontalHeaderLabels(CoordinateList);
-  inputTable->setVerticalHeaderLabels(CoordinateList);
-
-  pipe = new BoxQtQueryPipe(tmp,_dialog, inputTable);
-
-  // fill the box with current matrix
-  const Matrix &domain = World::getInstance().getDomain().getM();
-  for (int i=0;i<3;i++)
-    for (int j=0;j<3;j++) {
-      QTableWidgetItem *newItem = new QTableWidgetItem(tr("%1").arg(domain.at(i,j)));
-      inputTable->setItem(i,j,newItem);
-      pipe->update(i,j);
-    }
-
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(titleLabel);
-  thisLayout->addWidget(inputTable);
-
-  connect(inputTable,SIGNAL(cellChanged(int,int)),pipe,SLOT(update(int,int)));
-}
-
-QtDialog::BoxQtQuery::~BoxQtQuery()
-{
-  delete pipe;
-}
-
-bool QtDialog::BoxQtQuery::handle() {
-  return true;
-}
-
-
-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) :
-    Dialog::IntQuery(_title),
-    parent(_parent)
-{
-  thisLayout = new QHBoxLayout();
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-  inputBox = new QSpinBox();
-  inputBox->setValue(0);
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(titleLabel);
-  thisLayout->addWidget(inputBox);
-
-  pipe = new IntQtQueryPipe(&tmp,_dialog);
-  pipe->update(inputBox->value());
-  connect(inputBox,SIGNAL(valueChanged(int)),pipe,SLOT(update(int)));
-}
-
-QtDialog::IntQtQuery::~IntQtQuery()
-{
-  delete pipe;
-}
-
-bool QtDialog::IntQtQuery::handle() {
-  return true;
-}
-
-
-QtDialog::IntsQtQuery::IntsQtQuery(string _title,QBoxLayout *_parent,QtDialog *_dialog) :
-    Dialog::IntsQuery(_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);
-  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 QtQueryListPipe<int>(&tmp,_dialog,inputBox,inputList,AddButton,RemoveButton);
-  connect(inputBox,SIGNAL(textChanged(const QString&)),pipe,SLOT(IntegerEntered(const QString&)));
-  connect(inputList,SIGNAL(itemSelectionChanged()),pipe,SLOT(IntegerSelected()));
-  connect(AddButton,SIGNAL(Clicked()),pipe,SLOT(AddValue()));
-  connect(RemoveButton,SIGNAL(Clicked()),pipe,SLOT(RemoveRow()));
-}
-
-QtDialog::IntsQtQuery::~IntsQtQuery()
-{
-  delete pipe;
-}
-
-bool QtDialog::IntsQtQuery::handle() {
-  return true;
-}
-
-
-QtDialog::DoubleQtQuery::DoubleQtQuery(string title,QBoxLayout *_parent,QtDialog *_dialog) :
-    Dialog::DoubleQuery(title),
-    parent(_parent)
-{
-  thisLayout = new QHBoxLayout();
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-  inputBox = new QDoubleSpinBox();
-  inputBox->setValue(0);
-  inputBox->setRange(-numeric_limits<double>::max(),numeric_limits<double>::max());
-  inputBox->setDecimals(3);
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(titleLabel);
-  thisLayout->addWidget(inputBox);
-
-  pipe = new DoubleQtQueryPipe(&tmp,_dialog);
-  pipe->update(inputBox->value());
-  connect(inputBox,SIGNAL(valueChanged(double)),pipe,SLOT(update(double)));
-}
-
-QtDialog::DoubleQtQuery::~DoubleQtQuery()
-{
-  delete pipe;
-}
-
-bool QtDialog::DoubleQtQuery::handle() {
-  return true;
-}
-
-
-QtDialog::DoublesQtQuery::DoublesQtQuery(string title,QBoxLayout *_parent,QtDialog *_dialog) :
-    Dialog::DoublesQuery(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);
-  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 QtQueryListPipe<double>(&tmp,_dialog,inputBox,inputList,AddButton,RemoveButton);
-  connect(inputBox,SIGNAL(textChanged(const QString&)),pipe,SLOT(IntegerEntered(const QString&)));
-  connect(inputList,SIGNAL(itemSelectionChanged()),pipe,SLOT(IntegerSelected()));
-  connect(AddButton,SIGNAL(Clicked()),pipe,SLOT(AddValue()));
-  connect(RemoveButton,SIGNAL(Clicked()),pipe,SLOT(RemoveRow()));}
-
-QtDialog::DoublesQtQuery::~DoublesQtQuery()
-{
-  delete pipe;
-}
-
-bool QtDialog::DoublesQtQuery::handle() {
-  return true;
-}
-
-
-QtDialog::StringQtQuery::StringQtQuery(string _title,QBoxLayout *_parent,QtDialog *_dialog) :
-    Dialog::StringQuery(_title),
-    parent(_parent)
-{
-  thisLayout = new QHBoxLayout();
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-  inputBox = new QLineEdit();
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(titleLabel);
-  thisLayout->addWidget(inputBox);
-
-  pipe = new StringQtQueryPipe(&tmp,_dialog);
-  pipe->update(inputBox->text());
-  connect(inputBox,SIGNAL(textChanged(const QString&)),pipe,SLOT(update(const QString&)));
-}
-
-QtDialog::StringQtQuery::~StringQtQuery()
-{
-  delete pipe;
-}
-
-// All values besides the empty std::string are valid
-bool QtDialog::StringQtQuery::handle()
-{
-  return tmp!="";
-}
-
-QtDialog::StringsQtQuery::StringsQtQuery(string _title,QBoxLayout *_parent,QtDialog *_dialog) :
-    Dialog::StringsQuery(_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);
-  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 QtQueryListPipe<std::string>(&tmp,_dialog,inputBox,inputList,AddButton,RemoveButton);
-  connect(inputBox,SIGNAL(textChanged(const QString&)),pipe,SLOT(IntegerEntered(const QString&)));
-  connect(inputList,SIGNAL(itemSelectionChanged()),pipe,SLOT(IntegerSelected()));
-  connect(AddButton,SIGNAL(Clicked()),pipe,SLOT(AddValue()));
-  connect(RemoveButton,SIGNAL(Clicked()),pipe,SLOT(RemoveRow()));}
-
-QtDialog::StringsQtQuery::~StringsQtQuery()
-{
-  delete pipe;
-}
-
-// All values besides the empty std::string are valid
-bool QtDialog::StringsQtQuery::handle()
-{
-  // dissect by ","
-  std::string::iterator olditer = temp.begin();
-  for(string::iterator iter = temp.begin(); iter != temp.end(); ++iter) {
-    if (*iter == ' ') {
-      tmp.push_back(string(iter, olditer));
-      olditer = iter;
-    }
-  }
-  if (olditer != temp.begin())  // insert last part also
-    tmp.push_back(string(olditer, temp.end()));
-
-  return temp!="";
-}
-
-QtDialog::MoleculeQtQuery::MoleculeQtQuery(string _title, QBoxLayout *_parent,QtDialog *_dialog) :
-    Dialog::MoleculeQuery(_title),
-    parent(_parent)
-{
-  thisLayout = new QHBoxLayout();
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-  inputBox = new QComboBox();
-  // add all molecules to the combo box
-  vector<molecule*> molecules = World::getInstance().getAllMolecules();
-  for(vector<molecule*>::iterator iter  = molecules.begin();
-      iter != molecules.end();
-      ++iter) {
-    std::stringstream sstr;
-    sstr << (*iter)->IndexNr << "\t" << (*iter)->getName();
-    inputBox->addItem(QString(sstr.str().c_str()),QVariant((*iter)->IndexNr));
-  }
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(titleLabel);
-  thisLayout->addWidget(inputBox);
-
-  pipe = new MoleculeQtQueryPipe(&tmp,_dialog,inputBox);
-  pipe->update(inputBox->currentIndex());
-  connect(inputBox,SIGNAL(currentIndexChanged(int)),pipe,SLOT(update(int)));
-}
-
-QtDialog::MoleculeQtQuery::~MoleculeQtQuery()
-{
-  delete pipe;
-}
-
-// Handling is easy, since the GUI makes it impossible to select invalid values
-bool QtDialog::MoleculeQtQuery::handle()
-{
-  return true;
-}
-
-QtDialog::MoleculesQtQuery::MoleculesQtQuery(string _title, QBoxLayout *_parent,QtDialog *_dialog) :
-    Dialog::MoleculesQuery(_title),
-    parent(_parent)
-{
-  thisLayout = new QHBoxLayout();
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-  inputBox = new QComboBox();
-  // add all molecules to the combo box
-  vector<molecule*> molecules = World::getInstance().getAllMolecules();
-  for(vector<molecule*>::iterator iter  = molecules.begin();
-      iter != molecules.end();
-      ++iter) {
-    std::stringstream sstr;
-    sstr << (*iter)->IndexNr << "\t" << (*iter)->getName();
-    inputBox->addItem(QString(sstr.str().c_str()),QVariant((*iter)->IndexNr));
-  }
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(titleLabel);
-  thisLayout->addWidget(inputBox);
-
-  pipe = new MoleculesQtQueryPipe(&tmp,_dialog,inputBox);
-  pipe->update(inputBox->currentIndex());
-  connect(inputBox,SIGNAL(currentIndexChanged(int)),pipe,SLOT(update(int)));
-}
-
-QtDialog::MoleculesQtQuery::~MoleculesQtQuery()
-{
-  delete pipe;
-}
-
-// Handling is easy, since the GUI makes it impossible to select invalid values
-bool QtDialog::MoleculesQtQuery::handle()
-{
-  return true;
-}
-
-QtDialog::VectorQtQuery::VectorQtQuery(std::string title, bool _check,QBoxLayout *_parent,QtDialog *_dialog) :
-    Dialog::VectorQuery(title,_check),
-    parent(_parent)
-{
-  mainLayout= new QHBoxLayout();
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-  mainLayout->addWidget(titleLabel);
-  subLayout = new QVBoxLayout();
-  mainLayout->addLayout(subLayout);
-  QComboBox* inputBox = new QComboBox();
-  coordLayout = new QHBoxLayout();
-  subLayout->addLayout(coordLayout);
-  coordLabel = new QLabel(QString("x,y,z"));
-  coordLayout->addWidget(coordLabel);
-  coordInput = new QDoubleSpinBox();
-//  coordInput->setRange(0,M.at(i,i));
-  coordInput->setDecimals(3);
-  coordLayout->addWidget(coordInput);
-  pipe = new VectorQtQueryPipe(&(tmp),_dialog,inputBox);
-  //pipe->update(coordInput->value());
-  connect(coordInput,SIGNAL(valueChanged(double)),pipe,SLOT(update(double)));
-  parent->addLayout(mainLayout);
-}
-
-QtDialog::VectorQtQuery::~VectorQtQuery()
-{}
-
-bool QtDialog::VectorQtQuery::handle() {
-  return true;
-}
-
-
-QtDialog::VectorsQtQuery::VectorsQtQuery(std::string title, bool _check,QBoxLayout *_parent,QtDialog *_dialog) :
-    Dialog::VectorsQuery(title,_check),
-    parent(_parent)
-{
-  mainLayout= new QHBoxLayout();
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-  mainLayout->addWidget(titleLabel);
-  subLayout = new QVBoxLayout();
-  mainLayout->addLayout(subLayout);
-  QComboBox* inputBox = new QComboBox();
-  coordLayout = new QHBoxLayout();
-  subLayout->addLayout(coordLayout);
-  coordLabel = new QLabel(QString("x,y,z"));
-  coordLayout->addWidget(coordLabel);
-  coordInput = new QDoubleSpinBox();
-//  coordInput->setRange(0,M.at(i,i));
-  coordInput->setDecimals(3);
-  coordLayout->addWidget(coordInput);
-  pipe = new VectorsQtQueryPipe(&(tmp),_dialog,inputBox);
-  //pipe->update(coordInput->value());
-  connect(coordInput,SIGNAL(valueChanged(double)),pipe,SLOT(update(double)));
-  parent->addLayout(mainLayout);
-}
-
-QtDialog::VectorsQtQuery::~VectorsQtQuery()
-{}
-
-bool QtDialog::VectorsQtQuery::handle() {
-  return true;
-}
-
-
-QtDialog::ElementQtQuery::ElementQtQuery(std::string _title, QBoxLayout *_parent, QtDialog *_dialog) :
-    Dialog::ElementQuery(_title),
-    parent(_parent)
-{
-  periodentafel *periode = World::getInstance().getPeriode();
-  thisLayout = new QHBoxLayout();
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-  inputBox = new QComboBox();
-  for(periodentafel::const_iterator iter = periode->begin();
-      iter!=periode->end();
-      ++iter)
-  {
-    std::stringstream sstr;
-    sstr << (*iter).first << "\t" << (*iter).second->getName();
-    inputBox->addItem(QString(sstr.str().c_str()),QVariant((*iter).first));
-  }
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(titleLabel);
-  thisLayout->addWidget(inputBox);
-
-  pipe = new ElementQtQueryPipe(&tmp,_dialog,inputBox);
-  pipe->update(inputBox->currentIndex());
-  connect(inputBox,SIGNAL(currentIndexChanged(int)),pipe,SLOT(update(int)));
-}
-
-QtDialog::ElementQtQuery::~ElementQtQuery()
-{
-  delete pipe;
-}
-
-bool QtDialog::ElementQtQuery::handle(){
-  return true;
-}
-
-
-QtDialog::ElementsQtQuery::ElementsQtQuery(std::string _title, QBoxLayout *_parent, QtDialog *_dialog) :
-    Dialog::ElementsQuery(_title),
-    parent(_parent)
-{
-  periodentafel *periode = World::getInstance().getPeriode();
-  thisLayout = new QHBoxLayout();
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-  inputBox = new QComboBox();
-  for(periodentafel::const_iterator iter = periode->begin();
-      iter!=periode->end();
-      ++iter)
-  {
-    std::stringstream sstr;
-    sstr << (*iter).first << "\t" << (*iter).second->getName();
-    inputBox->addItem(QString(sstr.str().c_str()),QVariant((*iter).first));
-  }
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(titleLabel);
-  thisLayout->addWidget(inputBox);
-
-  pipe = new ElementsQtQueryPipe(&tmp,_dialog,inputBox);
-  pipe->update(inputBox->currentIndex());
-  connect(inputBox,SIGNAL(currentIndexChanged(int)),pipe,SLOT(update(int)));
-}
-
-QtDialog::ElementsQtQuery::~ElementsQtQuery()
-{
-  delete pipe;
-}
-
-bool QtDialog::ElementsQtQuery::handle(){
-  return true;
-}
-
-QtDialog::EmptyQtQuery::EmptyQtQuery(std::string _title, QBoxLayout *_parent, QtDialog *_dialog) :
-    Dialog::EmptyQuery(_title),
-    parent(_parent)
-{
-  titleLabel = new QLabel(QString(getTitle().c_str()));
-
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(titleLabel);
-
-  pipe = new EmptyQtQueryPipe(_dialog,titleLabel);
-}
-
-QtDialog::EmptyQtQuery::~EmptyQtQuery()
-{
-  delete pipe;
-}
-
-bool QtDialog::EmptyQtQuery::handle(){
-  return true;
-}
-
-
-QtDialog::BooleanQtQuery::BooleanQtQuery(std::string _title, QBoxLayout *_parent, QtDialog *_dialog) :
-    Dialog::BooleanQuery(_title),
-    parent(_parent)
-{
-  titleLabel = new QLabel(QString(getTitle().c_str()),_dialog);
-  booleanComboBox = new QComboBox(_dialog);
-  booleanComboBox->insertItem(1, QString("true"));
-  booleanComboBox->insertItem(0, QString("false"));
-
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(titleLabel);
-  thisLayout->addWidget(booleanComboBox);
-
-  pipe = new BooleanQtQueryPipe(&tmp,_dialog,booleanComboBox);
-  connect(booleanComboBox, SIGNAL(currentIndexChanged()), pipe, SLOT(update()));
-}
-
-QtDialog::BooleanQtQuery::~BooleanQtQuery()
-{
-  delete pipe;
-}
-
-bool QtDialog::BooleanQtQuery::handle(){
-  return true;
-}
-
-
-QtDialog::FileQtQuery::FileQtQuery(std::string _title, QBoxLayout *_parent, QtDialog *_dialog) :
-    Dialog::FileQuery(_title),
-    parent(_parent)
-{
-
-  filenameLineEdit = new QLineEdit(_dialog);
-  filenameLineEdit->setText(QString());
-  filenameLineEdit->setReadOnly(true);
-
-  filenameLabel = new QLabel(QString("Input file:"));
-  filenameLabel->setBuddy(filenameLineEdit);
-
-  filedialogButton = new QPushButton("&Choose", _dialog);
-
-  pipe = new FileQtQueryPipe(&tmp,_dialog,filenameLineEdit,filedialogButton);
-
-  thisLayout = new QHBoxLayout();
-  parent->addLayout(thisLayout);
-  thisLayout->addWidget(filenameLabel);
-  thisLayout->addWidget(filenameLineEdit);
-  thisLayout->addWidget(filedialogButton);
-
-  QObject::connect(filedialogButton,SIGNAL(clicked()),pipe,SLOT(showFileDialog()));
-}
-
-QtDialog::FileQtQuery::~FileQtQuery()
-{
-  delete pipe;
-}
-
-bool QtDialog::FileQtQuery::handle(){
-  return true;
-}
-
-/*************************** Plumbing *******************************/
-
-
-template<typename T> QtQueryListPipe<T>::QtQueryListPipe(std::vector<T> *_content, QtDialog *_dialog, QLineEdit *_inputBox, QListWidget *_inputList, QPushButton *_AddButton, QPushButton *_RemoveButton) :
-  content(_content),
-  dialog(_dialog),
-  inputBox(_inputBox),
-  inputList(_inputList),
-  AddButton(_AddButton),
-  RemoveButton(_RemoveButton)
-{}
-
-template<typename T> QtQueryListPipe<T>::~QtQueryListPipe()
-{}
-
-template<typename T> void QtQueryListPipe<T>::IntegerEntered(const QString&)
-{
-  AddButton->setEnabled(true);
-}
-
-template<typename T> void QtQueryListPipe<T>::IntegerSelected()
-{
-  if (inputList->selectedItems().empty())
-    RemoveButton->setEnabled(false);
-  else
-    RemoveButton->setEnabled(true);
-}
-
-template<typename T> void QtQueryListPipe<T>::AddInteger() {
-  // type-check
-  std::string text = inputBox->text().toStdString();
-  int number = 0;
-  try {
-    number = boost::lexical_cast<int>(text);
-  } catch (boost::bad_lexical_cast&) {
-    return;
-  };
-  // add item to both
-  inputList->addItem(QString(number));
-  AddValue(number);
-}
-
-template<typename T> void QtQueryListPipe<T>::AddValue(T item) {
-  content->push_back(item);
-
-  dialog->update();
-}
-
-template<typename T> void QtQueryListPipe<T>::RemoveInteger() {
-  QList<QListWidgetItem *> items = inputList->selectedItems();
-  for (QList<QListWidgetItem *>::iterator iter = items.begin(); !items.empty(); iter = items.begin()) {
-    // obtain which position item has (by making it current item)
-    inputList->setCurrentItem(*iter);
-    // remove
-    QtQueryListPipe<T>::RemoteRow(inputList->currentRow()); // template parameters needs to be known, such that compiler knows which to call
-    inputList->removeItemWidget(*iter);
-  }
-}
-
-template<typename T> void QtQueryListPipe<T>::RemoveRow(int row) {
-  int counter = 0;
-  typename std::vector<T>::iterator iter = content->begin();
-  for (; iter != content->end(); ++iter)
-    if (counter++ == row)
-      break;
-  if (iter != content->end())
-      content->erase(iter);
-}
-
-
-StringQtQueryPipe::StringQtQueryPipe(string *_content, QtDialog *_dialog) :
-  content(_content),
-  dialog(_dialog)
-{}
-
-StringQtQueryPipe::~StringQtQueryPipe()
-{}
-
-void StringQtQueryPipe::update(const QString& newText) {
-  content->assign(newText.toStdString());
-  dialog->update();
-}
-
-IntQtQueryPipe::IntQtQueryPipe(int *_content, QtDialog *_dialog) :
-  content(_content),
-  dialog(_dialog)
-{}
-
-IntQtQueryPipe::~IntQtQueryPipe()
-{}
-
-void IntQtQueryPipe::update(int newInt) {
-  (*content) = newInt;
-  dialog->update();
-}
-
-DoubleQtQueryPipe::DoubleQtQueryPipe(double *_content, QtDialog *_dialog) :
-  content(_content),
-  dialog(_dialog)
-{}
-
-DoubleQtQueryPipe::~DoubleQtQueryPipe()
-{}
-
-void DoubleQtQueryPipe::update(double newDbl) {
-  (*content) = newDbl;
-  dialog->update();
-}
-
-VectorQtQueryPipe::VectorQtQueryPipe(Vector *_content, QtDialog *_dialog, QComboBox *_theBox) :
-  content(_content),
-  dialog(_dialog),
-  theBox(_theBox)
-{}
-
-VectorQtQueryPipe::~VectorQtQueryPipe()
-{}
-
-void VectorQtQueryPipe::update() {
-  dialog->update();
-}
-
-VectorsQtQueryPipe::VectorsQtQueryPipe(std::vector<Vector> *_content, QtDialog *_dialog, QComboBox *_theBox) :
-  content(_content),
-  dialog(_dialog),
-  theBox(_theBox)
-{}
-
-VectorsQtQueryPipe::~VectorsQtQueryPipe()
-{}
-
-void VectorsQtQueryPipe::update() {
-  dialog->update();
-}
-
-BoxQtQueryPipe::BoxQtQueryPipe(Box &_content, QtDialog *_dialog, QTableWidget *_inputTable) :
-  content(_content),
-  dialog(_dialog),
-  inputTable(_inputTable)
-{
-  tmpM = new Matrix();
-  tmpM->zero();
-}
-
-BoxQtQueryPipe::~BoxQtQueryPipe()
-{
-  delete tmpM;
-}
-
-void BoxQtQueryPipe::update(int row, int column)
-{
-  tmpM->at(row, column) = inputTable->item(row, column)->text().toDouble();
-  content.setM(*tmpM);
-  dialog->update();
-}
-
-
-AtomQtQueryPipe::AtomQtQueryPipe(atom **_content, QtDialog *_dialog, QComboBox *_theBox) :
-  content(_content),
-  dialog(_dialog),
-  theBox(_theBox)
-{}
-
-AtomQtQueryPipe::~AtomQtQueryPipe()
-{}
-
-void AtomQtQueryPipe::update(int newIndex) {
-  QVariant data = theBox->itemData(newIndex);
-  int idx = data.toInt();
-  (*content) = World::getInstance().getAtom(AtomById(idx));
-  dialog->update();
-}
-
-
-AtomsQtQueryPipe::AtomsQtQueryPipe(std::vector<atom *>*_content, QtDialog *_dialog, QListWidget *_theList) :
-  content(_content),
-  dialog(_dialog),
-  theList(_theList)
-{}
-
-AtomsQtQueryPipe::~AtomsQtQueryPipe()
-{}
-
-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();
-}
-
-
-MoleculeQtQueryPipe::MoleculeQtQueryPipe(molecule **_content, QtDialog *_dialog, QComboBox *_theBox) :
-  content(_content),
-  dialog(_dialog),
-  theBox(_theBox)
-{}
-
-MoleculeQtQueryPipe::~MoleculeQtQueryPipe()
-{}
-
-void MoleculeQtQueryPipe::update(int newIndex) {
-  QVariant data = theBox->itemData(newIndex);
-  int idx = data.toInt();
-  (*content) = World::getInstance().getMolecule(MoleculeById(idx));
-  dialog->update();
-}
-
-
-MoleculesQtQueryPipe::MoleculesQtQueryPipe(std::vector<molecule *>*_content, QtDialog *_dialog, QComboBox *_theBox) :
-  content(_content),
-  dialog(_dialog),
-  theBox(_theBox)
-{}
-
-MoleculesQtQueryPipe::~MoleculesQtQueryPipe()
-{}
-
-void MoleculesQtQueryPipe::update(int newIndex) {
-  QVariant data = theBox->itemData(newIndex);
-  int idx = data.toInt();
-  molecule *mol = World::getInstance().getMolecule(MoleculeById(idx));
-  if (mol)
-    (*content).push_back(mol);
-  dialog->update();
-}
-
-ElementQtQueryPipe::ElementQtQueryPipe(const element **_content, QtDialog *_dialog, QComboBox *_theBox) :
-  content(_content),
-  dialog(_dialog),
-  theBox(_theBox)
-{}
-
-ElementQtQueryPipe::~ElementQtQueryPipe()
-{}
-
-void ElementQtQueryPipe::update(int newIndex) {
-  QVariant data = theBox->itemData(newIndex);
-  int idx = data.toInt();
-  *content = World::getInstance().getPeriode()->FindElement(idx);
-  dialog->update();
-}
-
-ElementsQtQueryPipe::ElementsQtQueryPipe(std::vector<const element *>*_content, QtDialog *_dialog, QComboBox *_theBox) :
-  content(_content),
-  dialog(_dialog),
-  theBox(_theBox)
-{}
-
-ElementsQtQueryPipe::~ElementsQtQueryPipe()
-{}
-
-void ElementsQtQueryPipe::update(int newIndex) {
-  QVariant data = theBox->itemData(newIndex);
-  int idx = data.toInt();
-  const element *elemental = World::getInstance().getPeriode()->FindElement(idx);
-  if(elemental)
-    (*content).push_back(elemental);
-  dialog->update();
-}
-
-EmptyQtQueryPipe::EmptyQtQueryPipe(QtDialog *_dialog, QLabel *_textLabel) :
-  dialog(_dialog),
-  textLabel(_textLabel)
-{}
-
-EmptyQtQueryPipe::~EmptyQtQueryPipe()
-{}
-
-void EmptyQtQueryPipe::update() {
-  dialog->update();
-}
-
-BooleanQtQueryPipe::BooleanQtQueryPipe(const bool *_content, QtDialog *_dialog, QComboBox *_booleanComboBox) :
-  content(_content),
-  dialog(_dialog),
-  booleanComboBox(_booleanComboBox)
-{}
-
-BooleanQtQueryPipe::~BooleanQtQueryPipe()
-{}
-
-void BooleanQtQueryPipe::update() {
-  dialog->update();
-}
-
-FileQtQueryPipe::FileQtQueryPipe(boost::filesystem::path *_content, QtDialog *_dialog, QLineEdit *_filenameLineEdit, QPushButton *_filedialogButton) :
-  content(_content),
-  dialog(_dialog),
-  filenameLineEdit(_filenameLineEdit),
-  filedialogButton(_filedialogButton)
-{
-  theFileDialog = NULL;
-}
-
-FileQtQueryPipe::~FileQtQueryPipe()
-{
-  if (theFileDialog != NULL)
-    delete theFileDialog;
-}
-
-void FileQtQueryPipe::update() {
-  QStringList ListOfFilenames = theFileDialog->selectedFiles();
-  std::cout << "Selected File is " << ListOfFilenames.at(0).toStdString() << std::endl;
-  (*content) = ListOfFilenames.at(0).toStdString();
-  filenameLineEdit->setText(QString::fromStdString((*content).string()));
-  dialog->update();
-}
-
-void FileQtQueryPipe::showFileDialog() {
-  filedialogButton->setFlat(true);
-  if (theFileDialog == NULL) {
-    theFileDialog = new QFileDialog(NULL, tr("Open input file"), QString(), tr("ParallelCarParrinello (*.conf);;MassivelyParallelQuantumChemistry (*.mpqc);;ParticleDataBase (*.pdb);;XYZ (*.xyz)"));
-    theFileDialog->setAcceptMode(QFileDialog::AcceptOpen);
-    theFileDialog->setFileMode(QFileDialog::ExistingFile);
-    theFileDialog->setViewMode(QFileDialog::List);
-  }
-  theFileDialog->exec();
-
-  update();
-  filedialogButton->setFlat(false);
-}
-
-
-
+/*************************** Pipe Infrastructure ************************/
+/*       ---> shifted to folder Pipe                                    */
+/************************************************************************/