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

Candidate_v1.7.0 stable
Last change on this file since e9f307 was 85dd16, checked in by Frederik Heber <frederik.heber@…>, 7 weeks ago

Adds new tab "All potentials".

  • Property mode set to 100644
File size: 4.7 KB
Line 
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
54using namespace std;
55
56const int QtPotentialList::COLUMNCOUNT = COLUMNTYPES_MAX;
57const char *QtPotentialList::COLUMNNAMES[QtPotentialList::COLUMNCOUNT]={"Number","Name","Charges","Parameters"};
58
59QtPotentialList::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
97QtPotentialList::~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
109void 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
118void QtPotentialList::refill()
119{
120 boost::recursive_mutex::scoped_lock lock(refill_mutex);
121
122 const PotentialRegistry &registry = 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
154void 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
163void 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}
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