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