| [85dd16] | 1 | /*
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 | 2 |  * Project: MoleCuilder
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 | 3 |  * Description: creates and alters molecular systems
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 | 4 |  * Copyright (C)  2025 Frederik Heber. All rights reserved.
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 | 5 |  * 
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 | 6 |  *
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 | 7 |  *   This file is part of MoleCuilder.
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 | 8 |  *
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 | 9 |  *    MoleCuilder is free software: you can redistribute it and/or modify
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 | 10 |  *    it under the terms of the GNU General Public License as published by
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 | 11 |  *    the Free Software Foundation, either version 2 of the License, or
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 | 12 |  *    (at your option) any later version.
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 | 13 |  *
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 | 14 |  *    MoleCuilder is distributed in the hope that it will be useful,
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 | 15 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
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 | 16 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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 | 17 |  *    GNU General Public License for more details.
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 | 18 |  *
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 | 19 |  *    You should have received a copy of the GNU General Public License
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 | 20 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
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 | 21 |  */
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 | 22 | 
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 | 23 | /*
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 | 24 |  * QtPotentialList.cpp
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 | 25 |  *
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 | 26 |  *  Created on: Jun 24, 2013
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 | 27 |  *      Author: heber
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 | 28 |  */
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 | 29 | 
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 | 30 | // include config.h
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 | 31 | #ifdef HAVE_CONFIG_H
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 | 32 | #include <config.h>
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 | 33 | #endif
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 | 34 | 
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 | 35 | #include "Views/Qt4/QtPotentialList.hpp"
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 | 36 | #include "Views/Qt4/QtNumericalItem.hpp"
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 | 37 | 
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 | 38 | #include <QtGui/QAbstractItemView>
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 | 39 | #include <QtGui/QTreeWidget>
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 | 40 | #include <QtGui/QTabWidget>
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 | 41 | #include <Qt/qsettings.h>
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 | 42 | #include <Qt/qsplitter.h>
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 | 43 | #include <Qt/qboxlayout.h>
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 | 44 | 
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 | 45 | //#include "CodePatterns/MemDebug.hpp"
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 | 46 | 
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 | 47 | #include <iostream>
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 | 48 | 
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 | 49 | #include "CodePatterns/Log.hpp"
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 | 50 | 
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 | 51 | #include "Potentials/EmpiricalPotential.hpp"
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 | 52 | #include "Potentials/PotentialRegistry.hpp"
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 | 53 | 
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 | 54 | using namespace std;
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 | 55 | 
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 | 56 | const int QtPotentialList::COLUMNCOUNT = COLUMNTYPES_MAX;
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 | 57 | const char *QtPotentialList::COLUMNNAMES[QtPotentialList::COLUMNCOUNT]={"Number","Name","Charges","Parameters"};
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 | 58 | 
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 | 59 | QtPotentialList::QtPotentialList(QWidget * _parent) :
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 | 60 |     QWidget(_parent),
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 | 61 |     Observer("QtPotentialList"),
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 | 62 |     potentialregistry_enabled(false)
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 | 63 | {
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 | 64 |   QHBoxLayout* layout = new QHBoxLayout(this);
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 | 65 |   QSplitter *splitter = new QSplitter (Qt::Horizontal, this );
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 | 66 |   layout->addWidget(splitter);
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 | 67 | 
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 | 68 |   // tree widget
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 | 69 |   treewidget = new QTreeWidget (splitter);
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 | 70 |   treewidget->setSelectionMode( QTreeWidget::SingleSelection );
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 | 71 |   treewidget->setColumnCount(COLUMNCOUNT);
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 | 72 |   treewidget->setSortingEnabled(true);
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 | 73 |   //treewidget->setSizePolicy( QSizePolicy::Minimum, sizePolicy().verticalPolicy() );
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 | 74 |   QStringList header;
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 | 75 |   for(int i=0; i<COLUMNCOUNT;++i)
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 | 76 |     header << COLUMNNAMES[i];
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 | 77 |   treewidget->setHeaderLabels(header);
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 | 78 |   treewidget->sortByColumn(0);
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 | 79 |   splitter->addWidget(treewidget);
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 | 80 | 
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 | 81 |   dirty = true;
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 | 82 |   
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 | 83 |   QSettings settings;
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 | 84 |   settings.beginGroup("QtPotentialList");
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 | 85 |   treewidget->resize(settings.value("treewidget_size", QSize(width()/2, 20)).toSize());
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 | 86 |   settings.endGroup();
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 | 87 | 
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 | 88 |         PotentialRegistry::getInstance().signOn(this);
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 | 89 |         potentialregistry_enabled = true;
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 | 90 | 
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 | 91 |   connect(this,SIGNAL(changed()),this,SLOT(update()));
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 | 92 |   connect(this,SIGNAL(needsRefill()),this,SLOT(refill()), Qt::QueuedConnection);
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 | 93 | 
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 | 94 |   emit needsRefill();
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 | 95 | }
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 | 96 | 
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 | 97 | QtPotentialList::~QtPotentialList()
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 | 98 | {
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 | 99 |   QSettings settings;
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 | 100 |   settings.beginGroup("QtPotentialList");
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 | 101 |   settings.setValue("treewidget_size", treewidget->size());
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 | 102 |   settings.endGroup();
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 | 103 | 
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 | 104 | 
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 | 105 |   if (potentialregistry_enabled)
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 | 106 |     PotentialRegistry::getInstance().signOff(this);
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 | 107 | }
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 | 108 | 
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 | 109 | void QtPotentialList::update(Observable *publisher)
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 | 110 | {
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 | 111 |   dirty = true;
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 | 112 | 
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 | 113 |   // force an update from Qt...
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 | 114 | //  treewidget->clear();
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 | 115 |   emit changed(); //doesn't work!?!
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 | 116 | }
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 | 117 | 
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 | 118 | void QtPotentialList::refill()
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 | 119 | {
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 | 120 |   boost::recursive_mutex::scoped_lock lock(refill_mutex);
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 | 121 | 
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 | 122 |   const PotentialRegistry ®istry = PotentialRegistry::getConstInstance();
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 | 123 | 
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 | 124 |   // clear everything
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 | 125 |   treewidget->clear();
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 | 126 | 
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 | 127 |   size_t count = 0;
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 | 128 |   for (PotentialRegistry::const_iterator potentialiter = registry.getBeginIter();
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 | 129 |                 potentialiter != registry.getEndIter(); ++potentialiter) {
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 | 130 |     const EmpiricalPotential * const potential = potentialiter->second;
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 | 131 | 
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 | 132 |     // create item
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 | 133 |     QTreeWidgetItem *treeItem = new QTreeWidgetItem(treewidget);
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 | 134 |     treeItem->setText(NUMBER, QString::number(count));
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 | 135 |     {
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 | 136 |       std::stringstream output;
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 | 137 |       output << potential->getName();
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 | 138 |       treeItem->setText(NAME, QString(output.str().c_str()));
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 | 139 |     }
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 | 140 |     {
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 | 141 |       std::stringstream output;
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 | 142 |       output << potential->getParticleTypes();
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 | 143 |       treeItem->setText(CHARGES, QString(output.str().c_str()));
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 | 144 |     }
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 | 145 |     {
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 | 146 |       std::stringstream output;
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 | 147 |       output << potential->getParameters();
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 | 148 |       treeItem->setText(PARAMETERS, QString(output.str().c_str()));
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 | 149 |     }
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 | 150 |   }
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 | 151 |   dirty = false;
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 | 152 | }
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 | 153 | 
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 | 154 | void QtPotentialList::paintEvent(QPaintEvent * event)
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 | 155 | {
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 | 156 |   boost::recursive_mutex::scoped_lock lock(refill_mutex);
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 | 157 | 
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 | 158 |   if (dirty)
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 | 159 |     refill();
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 | 160 | //  treewidget->paintEvent(event);
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 | 161 | }
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 | 162 | 
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 | 163 | void QtPotentialList::subjectKilled(Observable *publisher)
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 | 164 | {
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 | 165 |   // as a new instance should always already be present ... just sign on
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 | 166 |   if (static_cast<PotentialRegistry *>(publisher) == PotentialRegistry::getPointer()) {
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 | 167 |     potentialregistry_enabled = false;
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 | 168 |   }
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 | 169 | }
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