source: src/UIElements/Views/Qt4/QtInfoBox.cpp

Candidate_v1.6.1
Last change on this file was 897a01, checked in by Frederik Heber <frederik.heber@…>, 7 years ago

Arrows display velocity and force of each atom.

  • Property mode set to 100644
File size: 7.4 KB
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1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. 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 * QtInfoBox.cpp
25 *
26 * Created on: Mar 4, 2010
27 * Author: crueger
28 */
29
30// include config.h
31#ifdef HAVE_CONFIG_H
32#include <config.h>
33#endif
34
35#include "Views/Qt4/QtInfoBox.hpp"
36
37#include <iostream>
38#include <QAbstractItemView>
39
40//#include "CodePatterns/MemDebug.hpp"
41
42#include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp"
43
44#include <boost/thread/locks.hpp>
45
46#include "Element/element.hpp"
47#include "Element/periodentafel.hpp"
48#include "World.hpp"
49
50using namespace std;
51
52/***************** Basic structure for tab layout ***********/
53
54QtInfoBox::QtInfoBox(QtObservedInstanceBoard *_board, QWidget *_parent) :
55 QTabWidget(_parent),
56 curAtomId(-1), nextAtomId(-1),
57 curMoleculeId(-1), nextMoleculeId(-1),
58 page_mol(NULL), page_atom(NULL),
59 board(_board),
60 currentPage(0),
61 periode(World::getInstance().getPeriode())
62{
63 timer = new QTimer(this);
64 timer->setSingleShot(true);
65
66 setMinimumWidth(200);
67 setMinimumHeight(350);
68
69 connect(timer, SIGNAL(timeout()), this, SLOT(timerTimeout()));
70}
71
72QtInfoBox::~QtInfoBox()
73{
74 clearAtomTab();
75 clearMoleculeTab();
76}
77
78void QtInfoBox::atomHover(const atomId_t _id)
79{
80 nextAtomId = _id;
81 timer->start(500);
82}
83
84void QtInfoBox::moleculeHover(const moleculeId_t _id)
85{
86 nextMoleculeId = _id;
87 timer->start(500);
88}
89
90void QtInfoBox::timerTimeout()
91{
92 if (nextAtomId != (atomId_t)-1)
93 showAtom(nextAtomId);
94 if (nextMoleculeId != (moleculeId_t)-1)
95 showMolecule(nextMoleculeId);
96}
97
98void QtInfoBox::clearAtomTab()
99{
100 boost::recursive_mutex::scoped_lock lock(tabs_mutex);
101 if (page_atom){
102 if (page_atom->getAtom())
103 disconnect(page_atom->getAtom().get(), SIGNAL(atomRemoved()), this, SLOT(clearAtomTab()));
104 //removeTab(indexOf(page_atom));
105 delete(page_atom);
106 page_atom = NULL;
107 }
108}
109
110void QtInfoBox::clearMoleculeTab()
111{
112 boost::recursive_mutex::scoped_lock lock(tabs_mutex);
113 if (page_mol){
114 if (page_mol->getMolecule())
115 disconnect(page_mol->getMolecule().get(), SIGNAL(moleculeRemoved()), this, SLOT(clearMoleculeTab()));
116 //removeTab(indexOf(page_mol));
117 delete(page_mol);
118 page_mol = NULL;
119 }
120}
121
122void QtInfoBox::showAtom(const atomId_t _id)
123{
124 currentPage = currentIndex();
125
126 // Remove old tabs.
127 clearAtomTab();
128 clearMoleculeTab();
129
130 QtObservedAtom::ptr curAtom = board->getObservedAtom(_id);
131
132 // Show new tabs.
133 if (curAtom){
134 curAtomId = curAtom->getAtomIndex();
135 nextAtomId = -1;
136 nextMoleculeId = -1;
137
138 boost::recursive_mutex::scoped_lock lock(tabs_mutex);
139 page_atom = new QtAtomInfoPage(curAtom, periode, this);
140 addTab(page_atom, "Atom");
141 connect(curAtom.get(), SIGNAL(atomRemoved()), this, SLOT(clearAtomTab()));
142
143 if (curAtom->getMoleculeRef() != NULL) {
144 QtObservedMolecule::ptr curMolecule = curAtom->getMoleculeRef()->getRef();
145 if (curMolecule) {
146 page_mol = new QtMoleculeInfoPage(curMolecule, this);
147 addTab(page_mol, "Molecule");
148 connect(curMolecule.get(), SIGNAL(moleculeRemoved()), this, SLOT(clearMoleculeTab()));
149
150 if (currentPage > 0)
151 setCurrentIndex(currentPage);
152 }
153 }
154 }
155}
156
157void QtInfoBox::showMolecule(const moleculeId_t _id)
158{
159 currentPage = currentIndex();
160
161 // Remove old tabs.
162 clearAtomTab();
163 clearMoleculeTab();
164
165 QtObservedMolecule::ptr curMolecule = board->getObservedMolecule(_id);
166 nextAtomId = -1;
167 nextMoleculeId = -1;
168
169 // Show new tabs.
170 if (curMolecule){
171 boost::recursive_mutex::scoped_lock lock(tabs_mutex);
172 page_mol = new QtMoleculeInfoPage(curMolecule, this);
173 addTab(page_mol, "Molecule");
174 connect(curMolecule.get(), SIGNAL(moleculeRemoved()), this, SLOT(clearMoleculeTab()));
175
176 if (currentPage > 0)
177 setCurrentIndex(currentPage);
178 }
179}
180
181/************************ Tab for single Atoms ********************/
182
183static void addInfo(QTreeWidget *info, const QString &key, const QString &value)
184{
185 QTreeWidgetItem *treeItem = new QTreeWidgetItem(info);
186 treeItem->setText(0, key);
187 treeItem->setText(1, value);
188}
189
190QtAtomInfoPage::QtAtomInfoPage(
191 QtObservedAtom::ptr &_atom,
192 periodentafel *_periode,
193 QWidget *parent) :
194 QTreeWidget(parent),
195 atomRef(_atom),
196 periode(_periode)
197{
198 setColumnCount(2);
199 QStringList header;
200 header << "data";
201 header << "value";
202 setHeaderLabels(header);
203
204 updatePage();
205}
206
207void QtAtomInfoPage::updatePage()
208{
209 clear();
210
211 if (atomRef == NULL)
212 return;
213 const element * const _element = periode->FindElement(atomRef->getAtomElement());
214 addInfo(this, "Name", QString(atomRef->getAtomName().c_str()));
215 addInfo(this, "Element", QString(_element->getName().c_str()));
216 addInfo(this, "Mass", QString("%1").arg(_element->getMass()));
217 addInfo(this, "Charge", QString("%1").arg(_element->getCharge()));
218 addInfo(this, "Bonds", QString("%1").arg(atomRef->getAtomBonds().size()));
219 addInfo(this, "Position x", QString(toString(atomRef->getAtomPosition()[0]).c_str()));
220 addInfo(this, "Position y", QString(toString(atomRef->getAtomPosition()[1]).c_str()));
221 addInfo(this, "Position z", QString(toString(atomRef->getAtomPosition()[2]).c_str()));
222 addInfo(this, "Velocity x", QString(toString(atomRef->getAtomVelocity()[0]).c_str()));
223 addInfo(this, "Velocity y", QString(toString(atomRef->getAtomVelocity()[1]).c_str()));
224 addInfo(this, "Velocity z", QString(toString(atomRef->getAtomVelocity()[2]).c_str()));
225 addInfo(this, "Force x", QString(toString(atomRef->getAtomForce()[0]).c_str()));
226 addInfo(this, "Force y", QString(toString(atomRef->getAtomForce()[1]).c_str()));
227 addInfo(this, "Force z", QString(toString(atomRef->getAtomForce()[2]).c_str()));
228}
229
230QtAtomInfoPage::~QtAtomInfoPage()
231{}
232
233/************************ Tab for single Molecules *****************/
234
235QtMoleculeInfoPage::QtMoleculeInfoPage(
236 QtObservedMolecule::ptr &_mol,
237 QWidget *parent) :
238 QTreeWidget(parent),
239 mol(_mol)
240{
241 setColumnCount(2);
242 QStringList header;
243 header << "data";
244 header << "value";
245 setHeaderLabels(header);
246
247 updatePage();
248}
249
250void QtMoleculeInfoPage::updatePage()
251{
252 clear();
253
254 if (mol == NULL)
255 return;
256 addInfo(this, "Name", QString(mol->getMolName().c_str()));
257 addInfo(this, "Formula", QString(mol->getMolFormula().c_str()));
258 addInfo(this, "Atoms", QString("%1").arg(mol->getAtomCount()));
259 addInfo(this, "NonHydrogens", QString("%1").arg(mol->getNonHydrogenCount()));
260 addInfo(this, "Bonds", QString("%1").arg(mol->getBondCount()));
261 const Vector molCenter = mol->getMolCenter();
262 addInfo(this, "Center x", QString("%1").arg(molCenter[0]));
263 addInfo(this, "Center y", QString("%1").arg(molCenter[1]));
264 addInfo(this, "Center z", QString("%1").arg(molCenter[2]));
265}
266
267QtMoleculeInfoPage::~QtMoleculeInfoPage()
268{}
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