[bcf653] | 1 | /*
|
---|
| 2 | * Project: MoleCuilder
|
---|
| 3 | * Description: creates and alters molecular systems
|
---|
[0aa122] | 4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
|
---|
[94d5ac6] | 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/>.
|
---|
[bcf653] | 21 | */
|
---|
| 22 |
|
---|
[b47bfc] | 23 | /*
|
---|
[3c53fa] | 24 | * QtInfoBox.cpp
|
---|
[b47bfc] | 25 | *
|
---|
| 26 | * Created on: Mar 4, 2010
|
---|
| 27 | * Author: crueger
|
---|
| 28 | */
|
---|
| 29 |
|
---|
[bf3817] | 30 | // include config.h
|
---|
| 31 | #ifdef HAVE_CONFIG_H
|
---|
| 32 | #include <config.h>
|
---|
| 33 | #endif
|
---|
[bbbad5] | 34 |
|
---|
[3c53fa] | 35 | #include "Views/Qt4/QtInfoBox.hpp"
|
---|
[b47bfc] | 36 |
|
---|
| 37 | #include <iostream>
|
---|
[4f7473] | 38 | #include <QAbstractItemView>
|
---|
[b47bfc] | 39 |
|
---|
[ad011c] | 40 | #include "CodePatterns/MemDebug.hpp"
|
---|
[bbbad5] | 41 |
|
---|
[e7341e] | 42 | #include "Descriptors/AtomIdDescriptor.hpp"
|
---|
| 43 | #include "Descriptors/MoleculeIdDescriptor.hpp"
|
---|
| 44 |
|
---|
[bbbad5] | 45 | #include "molecule.hpp"
|
---|
[4f7473] | 46 | #include "Element/element.hpp"
|
---|
[e7341e] | 47 | #include "World.hpp"
|
---|
[b47bfc] | 48 |
|
---|
| 49 | using namespace std;
|
---|
| 50 |
|
---|
| 51 | /***************** Basic structure for tab layout ***********/
|
---|
| 52 |
|
---|
[3c53fa] | 53 | QtInfoBox::QtInfoBox() :
|
---|
[7b6bcfe] | 54 | QTabWidget(),
|
---|
[e7341e] | 55 | curAtomId(-1), nextAtomId(-1),
|
---|
| 56 | curMoleculeId(-1), nextMoleculeId(-1),
|
---|
[7b6bcfe] | 57 | page_mol(NULL), page_atom(NULL)
|
---|
[b47bfc] | 58 | {
|
---|
[4a2f3e] | 59 | timer = new QTimer(this);
|
---|
| 60 | timer->setSingleShot(true);
|
---|
[b47bfc] | 61 |
|
---|
[0b2be1] | 62 | setMinimumWidth(200);
|
---|
[5dcb3c] | 63 | setMinimumHeight(220);
|
---|
[52575c] | 64 | currentPage = 0;
|
---|
[0b2be1] | 65 |
|
---|
[4a2f3e] | 66 | connect(timer, SIGNAL(timeout()), this, SLOT(timerTimeout()));
|
---|
[b47bfc] | 67 | }
|
---|
| 68 |
|
---|
[3c53fa] | 69 | QtInfoBox::~QtInfoBox()
|
---|
[be374a] | 70 | {
|
---|
| 71 | clearTabs();
|
---|
| 72 | }
|
---|
[b47bfc] | 73 |
|
---|
[e7341e] | 74 | void QtInfoBox::atomHover(const atomId_t _id)
|
---|
[4a2f3e] | 75 | {
|
---|
[e7341e] | 76 | nextAtomId = _id;
|
---|
[2b596f] | 77 | timer->start(500);
|
---|
| 78 | }
|
---|
| 79 |
|
---|
[e7341e] | 80 | void QtInfoBox::moleculeHover(const moleculeId_t _id)
|
---|
[2b596f] | 81 | {
|
---|
[e7341e] | 82 | nextMoleculeId = _id;
|
---|
[4a2f3e] | 83 | timer->start(500);
|
---|
[b47bfc] | 84 | }
|
---|
| 85 |
|
---|
[3c53fa] | 86 | void QtInfoBox::timerTimeout()
|
---|
[4a2f3e] | 87 | {
|
---|
[e7341e] | 88 | if (nextAtomId != (atomId_t)-1)
|
---|
| 89 | showAtom(nextAtomId);
|
---|
| 90 | if (nextMoleculeId != (moleculeId_t)-1)
|
---|
| 91 | showMolecule(nextMoleculeId);
|
---|
[b47bfc] | 92 | }
|
---|
| 93 |
|
---|
[3c53fa] | 94 | void QtInfoBox::clearTabs()
|
---|
[7b6bcfe] | 95 | {
|
---|
| 96 | if (page_atom){
|
---|
[be374a] | 97 | //removeTab(indexOf(page_atom));
|
---|
[7b6bcfe] | 98 | delete(page_atom);
|
---|
| 99 | page_atom = NULL;
|
---|
| 100 | }
|
---|
| 101 | if (page_mol){
|
---|
[be374a] | 102 | //removeTab(indexOf(page_mol));
|
---|
[7b6bcfe] | 103 | delete(page_mol);
|
---|
| 104 | page_mol = NULL;
|
---|
| 105 | }
|
---|
[be374a] | 106 | }
|
---|
[7b6bcfe] | 107 |
|
---|
[e7341e] | 108 | void QtInfoBox::showAtom(const atomId_t _id)
|
---|
[be374a] | 109 | {
|
---|
[52575c] | 110 | currentPage = currentIndex();
|
---|
| 111 |
|
---|
[be374a] | 112 | // Remove old tabs.
|
---|
| 113 | clearTabs();
|
---|
| 114 |
|
---|
[e7341e] | 115 | const atom *curAtom = const_cast<const World &>(World::getInstance()).
|
---|
| 116 | getAtom(AtomById(_id));
|
---|
| 117 | curAtomId = curAtom->getId();
|
---|
| 118 | nextAtomId = -1;
|
---|
| 119 | nextMoleculeId = -1;
|
---|
[7b6bcfe] | 120 |
|
---|
| 121 | // Show new tabs.
|
---|
[4a2f3e] | 122 | if (curAtom){
|
---|
[0b2be1] | 123 | page_atom = new QtAtomInfoPage(curAtom, this);
|
---|
[4f7473] | 124 | addTab(page_atom, "Atom");
|
---|
[be374a] | 125 | connect(page_atom, SIGNAL(atomKilled()), this, SLOT(clearTabs()));
|
---|
[4f7473] | 126 |
|
---|
[7772aa] | 127 | if (curAtom->getMolecule()){
|
---|
[0b2be1] | 128 | page_mol = new QtMoleculeInfoPage(curAtom->getMolecule(), this);
|
---|
[7772aa] | 129 | addTab(page_mol, "Molecule");
|
---|
[be374a] | 130 | connect(page_mol, SIGNAL(moleculeKilled()), this, SLOT(clearTabs()));
|
---|
[52575c] | 131 |
|
---|
| 132 | if (currentPage > 0)
|
---|
| 133 | setCurrentIndex(currentPage);
|
---|
[7772aa] | 134 | }
|
---|
[7b6bcfe] | 135 | }
|
---|
| 136 | }
|
---|
| 137 |
|
---|
[e7341e] | 138 | void QtInfoBox::showMolecule(const moleculeId_t _id)
|
---|
[2b596f] | 139 | {
|
---|
| 140 | currentPage = currentIndex();
|
---|
| 141 |
|
---|
| 142 | // Remove old tabs.
|
---|
| 143 | clearTabs();
|
---|
| 144 |
|
---|
[e7341e] | 145 | const molecule *curMolecule = const_cast<const World &>(World::getInstance()).
|
---|
| 146 | getMolecule(MoleculeById(_id));
|
---|
| 147 | nextAtomId = -1;
|
---|
| 148 | nextMoleculeId = -1;
|
---|
[2b596f] | 149 |
|
---|
| 150 | // Show new tabs.
|
---|
| 151 | if (curMolecule){
|
---|
| 152 | page_mol = new QtMoleculeInfoPage(curMolecule, this);
|
---|
| 153 | addTab(page_mol, "Molecule");
|
---|
| 154 | connect(page_mol, SIGNAL(moleculeKilled()), this, SLOT(clearTabs()));
|
---|
| 155 |
|
---|
| 156 | if (currentPage > 0)
|
---|
| 157 | setCurrentIndex(currentPage);
|
---|
| 158 | }
|
---|
| 159 | }
|
---|
| 160 |
|
---|
[7b6bcfe] | 161 | /************************ Tab for single Atoms ********************/
|
---|
[b47bfc] | 162 |
|
---|
[4f7473] | 163 | static void addInfo(QTreeWidget *info, const QString &key, const QString &value)
|
---|
| 164 | {
|
---|
| 165 | QTreeWidgetItem *treeItem = new QTreeWidgetItem(info);
|
---|
| 166 | treeItem->setText(0, key);
|
---|
| 167 | treeItem->setText(1, value);
|
---|
| 168 | }
|
---|
| 169 |
|
---|
[0b2be1] | 170 | QtAtomInfoPage::QtAtomInfoPage(const atom *_atom, QWidget *parent) :
|
---|
| 171 | QTreeWidget(parent),
|
---|
[7b6bcfe] | 172 | Observer("QTAtomPage"),
|
---|
[4f7473] | 173 | atomRef(_atom)
|
---|
[7b6bcfe] | 174 | {
|
---|
| 175 | atomRef->signOn(this);
|
---|
[4f7473] | 176 |
|
---|
[0b2be1] | 177 | setColumnCount(2);
|
---|
[4f7473] | 178 | QStringList header;
|
---|
| 179 | header << "data";
|
---|
| 180 | header << "value";
|
---|
[0b2be1] | 181 | setHeaderLabels(header);
|
---|
[4f7473] | 182 |
|
---|
[4965922] | 183 | updatePage();
|
---|
| 184 | }
|
---|
| 185 |
|
---|
| 186 | void QtAtomInfoPage::updatePage()
|
---|
| 187 | {
|
---|
| 188 | clear();
|
---|
| 189 |
|
---|
[5e4bfd] | 190 | addInfo(this, "Name", QString(atomRef->getName().c_str()));
|
---|
[0b2be1] | 191 | addInfo(this, "Element", QString(atomRef->getElement().getName().c_str()));
|
---|
| 192 | addInfo(this, "Mass", QString("%1").arg(atomRef->getMass()));
|
---|
| 193 | addInfo(this, "Charge", QString("%1").arg(atomRef->getCharge()));
|
---|
| 194 | addInfo(this, "Bonds", QString("%1").arg(atomRef->getListOfBonds().size()));
|
---|
[5dcb3c] | 195 | addInfo(this, "Position x", QString(toString(atomRef->getPosition()[0]).c_str()));
|
---|
| 196 | addInfo(this, "Position y", QString(toString(atomRef->getPosition()[1]).c_str()));
|
---|
| 197 | addInfo(this, "Position z", QString(toString(atomRef->getPosition()[2]).c_str()));
|
---|
[7b6bcfe] | 198 | }
|
---|
[b47bfc] | 199 |
|
---|
[3c53fa] | 200 | QtAtomInfoPage::~QtAtomInfoPage()
|
---|
[7b6bcfe] | 201 | {
|
---|
[be374a] | 202 | if (atomRef)
|
---|
| 203 | atomRef->signOff(this);
|
---|
[7b6bcfe] | 204 | }
|
---|
[b47bfc] | 205 |
|
---|
[4965922] | 206 | void QtAtomInfoPage::update(Observable *subject)
|
---|
| 207 | {
|
---|
| 208 | if (dynamic_cast<atom *>(subject) == atomRef)
|
---|
| 209 | updatePage();
|
---|
[7b6bcfe] | 210 | }
|
---|
[b47bfc] | 211 |
|
---|
[3c53fa] | 212 | void QtAtomInfoPage::subjectKilled(Observable *subject){
|
---|
[be374a] | 213 | atomRef = NULL;
|
---|
| 214 | emit atomKilled();
|
---|
| 215 | }
|
---|
[b47bfc] | 216 |
|
---|
| 217 | /************************ Tab for single Molecules *****************/
|
---|
| 218 |
|
---|
[0b2be1] | 219 | QtMoleculeInfoPage::QtMoleculeInfoPage(const molecule *_mol, QWidget *parent) :
|
---|
| 220 | QTreeWidget(parent),
|
---|
[b47bfc] | 221 | Observer("QTMoleculePage"),
|
---|
[4f7473] | 222 | mol(_mol)
|
---|
[b47bfc] | 223 | {
|
---|
| 224 | mol->signOn(this);
|
---|
[4f7473] | 225 |
|
---|
[0b2be1] | 226 | setColumnCount(2);
|
---|
[4f7473] | 227 | QStringList header;
|
---|
| 228 | header << "data";
|
---|
| 229 | header << "value";
|
---|
[0b2be1] | 230 | setHeaderLabels(header);
|
---|
[4f7473] | 231 |
|
---|
[4965922] | 232 | updatePage();
|
---|
| 233 | }
|
---|
| 234 |
|
---|
| 235 | void QtMoleculeInfoPage::updatePage()
|
---|
| 236 | {
|
---|
| 237 | clear();
|
---|
| 238 |
|
---|
[0b2be1] | 239 | addInfo(this, "Name", QString(mol->getName().c_str()));
|
---|
| 240 | addInfo(this, "Formula", QString(mol->getFormula().toString().c_str()));
|
---|
| 241 | addInfo(this, "Atoms", QString("%1").arg(mol->getAtomCount()));
|
---|
[5dcb3c] | 242 | addInfo(this, "NonHydrogens", QString("%1").arg(mol->getNoNonHydrogen()));
|
---|
[0b2be1] | 243 | addInfo(this, "Bonds", QString("%1").arg(mol->getBondCount()));
|
---|
[5dcb3c] | 244 | const Vector molCenter = mol->DetermineCenterOfAll();
|
---|
| 245 | addInfo(this, "Center x", QString("%1").arg(molCenter[0]));
|
---|
| 246 | addInfo(this, "Center y", QString("%1").arg(molCenter[1]));
|
---|
| 247 | addInfo(this, "Center z", QString("%1").arg(molCenter[2]));
|
---|
[b47bfc] | 248 | }
|
---|
| 249 |
|
---|
[3c53fa] | 250 | QtMoleculeInfoPage::~QtMoleculeInfoPage(){
|
---|
[be374a] | 251 | if (mol)
|
---|
| 252 | mol->signOff(this);
|
---|
[b47bfc] | 253 | }
|
---|
| 254 |
|
---|
[4965922] | 255 | void QtMoleculeInfoPage::update(Observable *subject){
|
---|
| 256 | if (dynamic_cast<molecule *>(subject) == mol)
|
---|
| 257 | updatePage();
|
---|
[b47bfc] | 258 | }
|
---|
| 259 |
|
---|
[3c53fa] | 260 | void QtMoleculeInfoPage::subjectKilled(Observable *subject){
|
---|
[be374a] | 261 | mol = NULL;
|
---|
| 262 | emit moleculeKilled();
|
---|
| 263 | }
|
---|