source: src/UIElements/Views/Qt4/QtHomologyList.cpp@ e9f307

/*
 * Project: MoleCuilder
 * Description: creates and alters molecular systems
 * Copyright (C)  2013 Frederik Heber. All rights reserved.
 * 
 *
 *   This file is part of MoleCuilder.
 *
 *    MoleCuilder is free software: you can redistribute it and/or modify
 *    it under the terms of the GNU General Public License as published by
 *    the Free Software Foundation, either version 2 of the License, or
 *    (at your option) any later version.
 *
 *    MoleCuilder is distributed in the hope that it will be useful,
 *    but WITHOUT ANY WARRANTY; without even the implied warranty of
 *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 *    GNU General Public License for more details.
 *
 *    You should have received a copy of the GNU General Public License
 *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
 */

/*
 * QtHomologyList.cpp
 *
 *  Created on: Jun 24, 2013
 *      Author: heber
 */

// include config.h
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include "Views/Qt4/QtHomologyList.hpp"
#include "Views/Qt4/QtNumericalItem.hpp"

#include <QtGui/QAbstractItemView>
#include <QtGui/QTreeWidget>
#include <QtGui/QTabWidget>
#include <Qt/qsettings.h>
#include <Qt/qsplitter.h>
#include <Qt/qboxlayout.h>

//#include "CodePatterns/MemDebug.hpp"

#include <iterator>
#include <iostream>

#include <boost/assign.hpp>

#include "CodePatterns/Log.hpp"

#include "Fragmentation/Homology/HomologyContainer.hpp"
#include "FunctionApproximation/FunctionModel.hpp"
#include "FunctionApproximation/TrainingData.hpp"
#include "Potentials/CompoundPotential.hpp"
#include "Potentials/EmpiricalPotential.hpp"
#include "Potentials/InternalCoordinates/Coordinator.hpp"
#include "Potentials/PotentialRegistry.hpp"
#ifdef HAVE_QWT
#include "UIElements/Views/Qt4/Plotting/QSeisData.hpp"
#include "UIElements/Views/Qt4/Plotting/QSeisPageRegistry.hpp"
#include "UIElements/Views/Qt4/Plotting/QSeisPlotCurve.hpp"
#include "UIElements/Views/Qt4/Plotting/QSeisPlotPage.hpp"
#include "UIElements/Views/Qt4/Plotting/QSeisCurveRegistry.hpp"
#endif
#include "World.hpp"

using namespace std;

using namespace boost::assign;

const int QtHomologyList::COLUMNCOUNT = COLUMNTYPES_MAX;
const char *QtHomologyList::COLUMNNAMES[QtHomologyList::COLUMNCOUNT]={"Number","Nodes","Edges","Occurrence"};

QtHomologyList::QtHomologyList(QWidget * _parent) :
    QWidget(_parent),
    Observer("QtHomologyList"),
    homologycontainer_enabled(false),
    potentialregistry_enabled(false)
{
  QHBoxLayout* layout = new QHBoxLayout(this);
  QSplitter *splitter = new QSplitter (Qt::Horizontal, this );
  layout->addWidget(splitter);

  // tree widget
  treewidget = new QTreeWidget (splitter);
  treewidget->setSelectionMode( QTreeWidget::SingleSelection );
  treewidget->setColumnCount(COLUMNCOUNT);
  treewidget->setSortingEnabled(true);
  //treewidget->setSizePolicy( QSizePolicy::Minimum, sizePolicy().verticalPolicy() );
  QStringList header;
  for(int i=0; i<COLUMNCOUNT;++i)
    header << COLUMNNAMES[i];
  treewidget->setHeaderLabels(header);
  treewidget->sortByColumn(0);
  splitter->addWidget(treewidget);

  // plot widget
#ifdef HAVE_QWT
  widget = new QSeisPlotPage ("energy", splitter);
  //widget->setSizePolicy( QSizePolicy::MinimumExpanding, sizePolicy().verticalPolicy() );
  QSeisPageRegistry::getInstance().registerInstance(widget);
#else
  widget = new QWidget(splitter);
#endif
  splitter->addWidget(widget);

  dirty = true;
  
  QSettings settings;
  settings.beginGroup("QtHomologyList");
  treewidget->resize(settings.value("treewidget_size", QSize(width()/2, 20)).toSize());
  widget->resize(settings.value("plotwidget_size", QSize(width()/2, 20)).toSize());
  settings.endGroup();


        HomologyContainer &homologies = World::getInstance().getHomologies();
        homologies.signOn(this);
        homologycontainer_enabled = true;
        PotentialRegistry::getInstance().signOn(this);
        potentialregistry_enabled = true;

#ifdef HAVE_QWT
  //connect the PlotCurveRegistry directly to the PlotPage registry
  connect(QSeisCurveRegistry::getPointer(), SIGNAL(curveAdded(std::string, QString)), QSeisPageRegistry::getPointer(), SLOT(addCurve(std::string, QString)));
  connect(QSeisCurveRegistry::getPointer(), SIGNAL(curveRemoved(std::string, QString)), QSeisPageRegistry::getPointer(), SLOT(removeCurve(std::string, QString)));
  connect(QSeisCurveRegistry::getPointer(), SIGNAL(curveChanged(std::string, QString)), QSeisPageRegistry::getPointer(), SLOT(updateCurve(std::string, QString)));
#endif

  connect(treewidget,SIGNAL(itemSelectionChanged()),this,SLOT(rowSelected()));
  connect(this,SIGNAL(changed()),this,SLOT(update()));
  connect(this,SIGNAL(needsRefill()),this,SLOT(refill()), Qt::QueuedConnection);

  emit needsRefill();
}

QtHomologyList::~QtHomologyList()
{
  QSettings settings;
  settings.beginGroup("QtHomologyList");
  settings.setValue("treewidget_size", treewidget->size());
  settings.setValue("plotwidget_size", widget->size());
  settings.endGroup();


  if (homologycontainer_enabled) {
    HomologyContainer &homologies = World::getInstance().getHomologies();
    homologies.signOff(this);
  }
  if (potentialregistry_enabled)
    PotentialRegistry::getInstance().signOff(this);
}

void QtHomologyList::update(Observable *publisher)
{
  dirty = true;

  // force an update from Qt...
//  treewidget->clear();
  emit changed(); //doesn't work!?!
}

void QtHomologyList::refill()
{
  boost::recursive_mutex::scoped_lock lock(refill_mutex);

  const HomologyContainer &homologies = World::getInstance().getHomologies();

  // clear everything
  HomologySelection.clear();
  treewidget->clear();
#ifdef HAVE_QWT
  QSeisCurveRegistry::getInstance().resetRegistry();
#endif

  size_t count = 0;
  for (HomologyContainer::const_key_iterator homologyiter = homologies.key_begin();
      homologyiter != homologies.key_end();
      homologyiter = homologies.getNextKey(homologyiter), ++count) {
    HomologyContainer::range_t occurences = homologies.getHomologousGraphs(*homologyiter);
    const HomologyGraph &graph = occurences.first->first;
    const size_t times = std::distance(occurences.first, occurences.second);

    // create item
    std::vector<int> numerical_columns;
    numerical_columns += OCCURRENCE;
    QTreeWidgetItem *treeItem = new QtNumericalItem(NUMBER, numerical_columns, treewidget);
    treeItem->setText(NUMBER, QString::number(count));
    {
      std::stringstream output;
      graph.printNodes(output);
      treeItem->setText(NODES, QString(output.str().c_str()));
    }
    {
      std::stringstream output;
      graph.printEdges(output);
      treeItem->setText(EDGES, QString(output.str().c_str()));
    }
    if (times > 0) {
      treeItem->setText(OCCURRENCE, QString::number(times));
    } else {
      treeItem->setText(OCCURRENCE, "none");
      treeItem->setDisabled(true);
    }
    HomologySelection.push_back(treeItem->isSelected());

#ifdef HAVE_QWT
    // create associated curve in plot
    CompoundPotential *compound = new CompoundPotential(graph);
    ASSERT( compound != NULL,
        "QtHomologyList::refill() - compound is NULL.");
    TrainingData data(compound->getSpecificFilter());
    data(homologies.getHomologousGraphs(graph));
    if (!data.getTrainingInputs().empty()) {
      // generate QSeisData
      const TrainingData::InputVector_t &inputs = data.getAllArguments();
      const TrainingData::OutputVector_t &outputs = data.getTrainingOutputs();
      std::vector<double> xvalues;
      std::vector<double> yvalues;

      // go through each potential
      for (CompoundPotential::models_t::const_iterator potiter = compound->begin();
          potiter != compound->end();
          ++potiter) {
        const EmpiricalPotential &potential = dynamic_cast<const EmpiricalPotential &>(**potiter);
        const std::string potentialname = potential.getName();
        const FunctionModel::filter_t filter = potential.getSpecificFilter();
        Coordinator::ptr coordinator = potential.getCoordinator();
        // then we need to sample the potential
        HomologyGraph dummy;

        xvalues.clear();
        yvalues.clear();
        for (TrainingData::OutputVector_t::const_iterator outputiter = outputs.begin();
            outputiter != outputs.end(); ++outputiter)
          yvalues.push_back((*outputiter)[0]);
        for (TrainingData::InputVector_t::const_iterator inputiter = inputs.begin();
            inputiter != inputs.end(); ++inputiter) {
          const FunctionModel::list_of_arguments_t specificargs = filter(dummy, *inputiter);
          double average = 0.;
          for (FunctionModel::list_of_arguments_t::const_iterator argiter = specificargs.begin();
              argiter != specificargs.end(); ++argiter) {
            const FunctionModel::arguments_t args = *argiter;
            average += (*coordinator)(args);
          }
          const size_t index =  xvalues.size();
          if (specificargs.size() > 1) {
            xvalues.push_back(average/(double)specificargs.size());
          } else if (specificargs.size() == 1) {
            xvalues.push_back(average);
          } else {
            xvalues.push_back(index/0.1);
          }
        }

        // We need to sort the xvalues (and associated yvalues also)
        std::vector<double>::const_iterator xiter = xvalues.begin();
        std::vector<double>::const_iterator yiter = yvalues.begin();
        std::map<double, std::set<double> > sorted_xy;
        for (;xiter != xvalues.end(); ++xiter, ++yiter) {
          std::set<double> yset;
          yset.insert(*yiter);
          std::pair<std::map<double, std::set<double> >::iterator, bool> inserter =
              sorted_xy.insert(std::make_pair(*xiter, yset));
          if (!inserter.second)
            inserter.first->second.insert(*yiter);
        }
        xvalues.clear();
        yvalues.clear();
        for (std::map<double, std::set<double> >::const_iterator iter = sorted_xy.begin();
            iter != sorted_xy.end(); ++iter) {
          for (std::set<double>::const_iterator valueiter = iter->second.begin();
              valueiter != iter->second.end();
              ++valueiter) {
            xvalues.push_back(iter->first);
            yvalues.push_back(*valueiter);
          }
        }

        if ((!xvalues.empty()) && (!yvalues.empty())) {
          QSeisData data(xvalues, yvalues, QString(potentialname.c_str()));
          // couple to QSeisPlotCurve and register the curve
          QSeisPlotCurve *curve = new QSeisPlotCurve(QString(potentialname.c_str()), "energy");
          curve->updateCurve(&data);
          if (!QSeisCurveRegistry::getInstance().isPresentByName(curve->getName()))
            QSeisCurveRegistry::getInstance().registerInstance(curve);
          else
            delete curve;
        }
      }
    }
#endif
  }
  dirty = false;
}

void QtHomologyList::paintEvent(QPaintEvent * event)
{
  boost::recursive_mutex::scoped_lock lock(refill_mutex);

  if (dirty)
    refill();
//  treewidget->paintEvent(event);
}

void QtHomologyList::subjectKilled(Observable *publisher)
{
  // as a new instance should always already be present ... just sign on
  if (static_cast<PotentialRegistry *>(publisher) == PotentialRegistry::getPointer()) {
    potentialregistry_enabled = false;
  } else if (static_cast<HomologyContainer *>(publisher) == &World::getInstance().getHomologies()) {
    homologycontainer_enabled = false;
  }
}


void QtHomologyList::rowSelected()
{
  boost::recursive_mutex::scoped_lock lock(refill_mutex);

  //std::cout << "rowSelected\n";
  for (int i=0;i<treewidget->topLevelItemCount();i++){
    QTreeWidgetItem *item = treewidget->topLevelItem(i);
    bool newSelection = item->isSelected();
    if (newSelection != HomologySelection[i]){
      // TODO: Add selected curve to QTabWidget
    }
  }
}