/* * Project: MoleCuilder * Description: creates and alters molecular systems * Copyright (C) 2025 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 . */ /* * QtPotentialList.cpp * * Created on: Jun 24, 2013 * Author: heber */ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "Views/Qt4/QtPotentialList.hpp" #include "Views/Qt4/QtNumericalItem.hpp" #include #include #include #include #include #include //#include "CodePatterns/MemDebug.hpp" #include #include "CodePatterns/Log.hpp" #include "Potentials/EmpiricalPotential.hpp" #include "Potentials/PotentialRegistry.hpp" using namespace std; const int QtPotentialList::COLUMNCOUNT = COLUMNTYPES_MAX; const char *QtPotentialList::COLUMNNAMES[QtPotentialList::COLUMNCOUNT]={"Number","Name","Charges","Parameters"}; QtPotentialList::QtPotentialList(QWidget * _parent) : QWidget(_parent), Observer("QtPotentialList"), 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; isetHeaderLabels(header); treewidget->sortByColumn(0); splitter->addWidget(treewidget); dirty = true; QSettings settings; settings.beginGroup("QtPotentialList"); treewidget->resize(settings.value("treewidget_size", QSize(width()/2, 20)).toSize()); settings.endGroup(); PotentialRegistry::getInstance().signOn(this); potentialregistry_enabled = true; connect(this,SIGNAL(changed()),this,SLOT(update())); connect(this,SIGNAL(needsRefill()),this,SLOT(refill()), Qt::QueuedConnection); emit needsRefill(); } QtPotentialList::~QtPotentialList() { QSettings settings; settings.beginGroup("QtPotentialList"); settings.setValue("treewidget_size", treewidget->size()); settings.endGroup(); if (potentialregistry_enabled) PotentialRegistry::getInstance().signOff(this); } void QtPotentialList::update(Observable *publisher) { dirty = true; // force an update from Qt... // treewidget->clear(); emit changed(); //doesn't work!?! } void QtPotentialList::refill() { boost::recursive_mutex::scoped_lock lock(refill_mutex); const PotentialRegistry ®istry = PotentialRegistry::getConstInstance(); // clear everything treewidget->clear(); size_t count = 0; for (PotentialRegistry::const_iterator potentialiter = registry.getBeginIter(); potentialiter != registry.getEndIter(); ++potentialiter) { const EmpiricalPotential * const potential = potentialiter->second; // create item QTreeWidgetItem *treeItem = new QTreeWidgetItem(treewidget); treeItem->setText(NUMBER, QString::number(count)); { std::stringstream output; output << potential->getName(); treeItem->setText(NAME, QString(output.str().c_str())); } { std::stringstream output; output << potential->getParticleTypes(); treeItem->setText(CHARGES, QString(output.str().c_str())); } { std::stringstream output; output << potential->getParameters(); treeItem->setText(PARAMETERS, QString(output.str().c_str())); } } dirty = false; } void QtPotentialList::paintEvent(QPaintEvent * event) { boost::recursive_mutex::scoped_lock lock(refill_mutex); if (dirty) refill(); // treewidget->paintEvent(event); } void QtPotentialList::subjectKilled(Observable *publisher) { // as a new instance should always already be present ... just sign on if (static_cast(publisher) == PotentialRegistry::getPointer()) { potentialregistry_enabled = false; } }