| 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 "Descriptors/AtomIdDescriptor.hpp"
 | 
|---|
| 43 | #include "Descriptors/MoleculeIdDescriptor.hpp"
 | 
|---|
| 44 | 
 | 
|---|
| 45 | #include "molecule.hpp"
 | 
|---|
| 46 | #include "Element/element.hpp"
 | 
|---|
| 47 | #include "World.hpp"
 | 
|---|
| 48 | 
 | 
|---|
| 49 | using namespace std;
 | 
|---|
| 50 | 
 | 
|---|
| 51 | /***************** Basic structure for tab layout ***********/
 | 
|---|
| 52 | 
 | 
|---|
| 53 | QtInfoBox::QtInfoBox() :
 | 
|---|
| 54 |     QTabWidget(),
 | 
|---|
| 55 |     curAtomId(-1), nextAtomId(-1),
 | 
|---|
| 56 |     curMoleculeId(-1), nextMoleculeId(-1),
 | 
|---|
| 57 |     page_mol(NULL), page_atom(NULL)
 | 
|---|
| 58 | {
 | 
|---|
| 59 |   timer = new QTimer(this);
 | 
|---|
| 60 |   timer->setSingleShot(true);
 | 
|---|
| 61 | 
 | 
|---|
| 62 |   setMinimumWidth(200);
 | 
|---|
| 63 |   setMinimumHeight(220);
 | 
|---|
| 64 |   currentPage = 0;
 | 
|---|
| 65 | 
 | 
|---|
| 66 |   connect(timer, SIGNAL(timeout()), this, SLOT(timerTimeout()));
 | 
|---|
| 67 | }
 | 
|---|
| 68 | 
 | 
|---|
| 69 | QtInfoBox::~QtInfoBox()
 | 
|---|
| 70 | {
 | 
|---|
| 71 |   clearTabs();
 | 
|---|
| 72 | }
 | 
|---|
| 73 | 
 | 
|---|
| 74 | void QtInfoBox::atomHover(const atomId_t _id)
 | 
|---|
| 75 | {
 | 
|---|
| 76 |   nextAtomId = _id;
 | 
|---|
| 77 |   timer->start(500);
 | 
|---|
| 78 | }
 | 
|---|
| 79 | 
 | 
|---|
| 80 | void QtInfoBox::moleculeHover(const moleculeId_t _id)
 | 
|---|
| 81 | {
 | 
|---|
| 82 |   nextMoleculeId = _id;
 | 
|---|
| 83 |   timer->start(500);
 | 
|---|
| 84 | }
 | 
|---|
| 85 | 
 | 
|---|
| 86 | void QtInfoBox::timerTimeout()
 | 
|---|
| 87 | {
 | 
|---|
| 88 |   if (nextAtomId != (atomId_t)-1)
 | 
|---|
| 89 |     showAtom(nextAtomId);
 | 
|---|
| 90 |   if (nextMoleculeId != (moleculeId_t)-1)
 | 
|---|
| 91 |     showMolecule(nextMoleculeId);
 | 
|---|
| 92 | }
 | 
|---|
| 93 | 
 | 
|---|
| 94 | void QtInfoBox::clearTabs()
 | 
|---|
| 95 | {
 | 
|---|
| 96 |   if (page_atom){
 | 
|---|
| 97 |     //removeTab(indexOf(page_atom));
 | 
|---|
| 98 |     delete(page_atom);
 | 
|---|
| 99 |     page_atom = NULL;
 | 
|---|
| 100 |   }
 | 
|---|
| 101 |   if (page_mol){
 | 
|---|
| 102 |     //removeTab(indexOf(page_mol));
 | 
|---|
| 103 |     delete(page_mol);
 | 
|---|
| 104 |     page_mol = NULL;
 | 
|---|
| 105 |   }
 | 
|---|
| 106 | }
 | 
|---|
| 107 | 
 | 
|---|
| 108 | void QtInfoBox::showAtom(const atomId_t _id)
 | 
|---|
| 109 | {
 | 
|---|
| 110 |   currentPage = currentIndex();
 | 
|---|
| 111 | 
 | 
|---|
| 112 |   // Remove old tabs.
 | 
|---|
| 113 |   clearTabs();
 | 
|---|
| 114 | 
 | 
|---|
| 115 |   const atom *curAtom = const_cast<const World &>(World::getInstance()).
 | 
|---|
| 116 |       getAtom(AtomById(_id));
 | 
|---|
| 117 |   curAtomId = curAtom->getId();
 | 
|---|
| 118 |   nextAtomId = -1;
 | 
|---|
| 119 |   nextMoleculeId = -1;
 | 
|---|
| 120 | 
 | 
|---|
| 121 |   // Show new tabs.
 | 
|---|
| 122 |   if (curAtom){
 | 
|---|
| 123 |     page_atom = new QtAtomInfoPage(curAtom, this);
 | 
|---|
| 124 |     addTab(page_atom, "Atom");
 | 
|---|
| 125 |     connect(page_atom, SIGNAL(atomKilled()), this, SLOT(clearTabs()));
 | 
|---|
| 126 | 
 | 
|---|
| 127 |     if (curAtom->getMolecule()){
 | 
|---|
| 128 |       page_mol = new QtMoleculeInfoPage(curAtom->getMolecule(), this);
 | 
|---|
| 129 |       addTab(page_mol, "Molecule");
 | 
|---|
| 130 |       connect(page_mol, SIGNAL(moleculeKilled()), this, SLOT(clearTabs()));
 | 
|---|
| 131 | 
 | 
|---|
| 132 |       if (currentPage > 0)
 | 
|---|
| 133 |         setCurrentIndex(currentPage);
 | 
|---|
| 134 |     }
 | 
|---|
| 135 |   }
 | 
|---|
| 136 | }
 | 
|---|
| 137 | 
 | 
|---|
| 138 | void QtInfoBox::showMolecule(const moleculeId_t _id)
 | 
|---|
| 139 | {
 | 
|---|
| 140 |   currentPage = currentIndex();
 | 
|---|
| 141 | 
 | 
|---|
| 142 |   // Remove old tabs.
 | 
|---|
| 143 |   clearTabs();
 | 
|---|
| 144 | 
 | 
|---|
| 145 |   const molecule *curMolecule = const_cast<const World &>(World::getInstance()).
 | 
|---|
| 146 |       getMolecule(MoleculeById(_id));
 | 
|---|
| 147 |   nextAtomId = -1;
 | 
|---|
| 148 |   nextMoleculeId = -1;
 | 
|---|
| 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 | 
 | 
|---|
| 161 | /************************ Tab for single Atoms ********************/
 | 
|---|
| 162 | 
 | 
|---|
| 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 | 
 | 
|---|
| 170 | QtAtomInfoPage::QtAtomInfoPage(const atom *_atom, QWidget *parent) :
 | 
|---|
| 171 |   QTreeWidget(parent),
 | 
|---|
| 172 |   Observer("QTAtomPage"),
 | 
|---|
| 173 |   atomRef(_atom)
 | 
|---|
| 174 | {
 | 
|---|
| 175 |   atomRef->signOn(this);
 | 
|---|
| 176 | 
 | 
|---|
| 177 |   setColumnCount(2);
 | 
|---|
| 178 |   QStringList header;
 | 
|---|
| 179 |   header << "data";
 | 
|---|
| 180 |   header << "value";
 | 
|---|
| 181 |   setHeaderLabels(header);
 | 
|---|
| 182 | 
 | 
|---|
| 183 |   updatePage();
 | 
|---|
| 184 | }
 | 
|---|
| 185 | 
 | 
|---|
| 186 | void QtAtomInfoPage::updatePage()
 | 
|---|
| 187 | {
 | 
|---|
| 188 |   clear();
 | 
|---|
| 189 | 
 | 
|---|
| 190 |   addInfo(this, "Name", QString(atomRef->getName().c_str()));
 | 
|---|
| 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()));
 | 
|---|
| 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()));
 | 
|---|
| 198 | }
 | 
|---|
| 199 | 
 | 
|---|
| 200 | QtAtomInfoPage::~QtAtomInfoPage()
 | 
|---|
| 201 | {
 | 
|---|
| 202 |   if (atomRef)
 | 
|---|
| 203 |     atomRef->signOff(this);
 | 
|---|
| 204 | }
 | 
|---|
| 205 | 
 | 
|---|
| 206 | void QtAtomInfoPage::update(Observable *subject)
 | 
|---|
| 207 | {
 | 
|---|
| 208 |   if (dynamic_cast<atom *>(subject) == atomRef)
 | 
|---|
| 209 |     updatePage();
 | 
|---|
| 210 | }
 | 
|---|
| 211 | 
 | 
|---|
| 212 | void QtAtomInfoPage::subjectKilled(Observable *subject){
 | 
|---|
| 213 |   atomRef = NULL;
 | 
|---|
| 214 |   emit atomKilled();
 | 
|---|
| 215 | }
 | 
|---|
| 216 | 
 | 
|---|
| 217 | /************************ Tab for single Molecules *****************/
 | 
|---|
| 218 | 
 | 
|---|
| 219 | QtMoleculeInfoPage::QtMoleculeInfoPage(const molecule *_mol, QWidget *parent) :
 | 
|---|
| 220 |     QTreeWidget(parent),
 | 
|---|
| 221 |     Observer("QTMoleculePage"),
 | 
|---|
| 222 |     mol(_mol)
 | 
|---|
| 223 | {
 | 
|---|
| 224 |   mol->signOn(this);
 | 
|---|
| 225 | 
 | 
|---|
| 226 |   setColumnCount(2);
 | 
|---|
| 227 |   QStringList header;
 | 
|---|
| 228 |   header << "data";
 | 
|---|
| 229 |   header << "value";
 | 
|---|
| 230 |   setHeaderLabels(header);
 | 
|---|
| 231 | 
 | 
|---|
| 232 |   updatePage();
 | 
|---|
| 233 | }
 | 
|---|
| 234 | 
 | 
|---|
| 235 | void QtMoleculeInfoPage::updatePage()
 | 
|---|
| 236 | {
 | 
|---|
| 237 |   clear();
 | 
|---|
| 238 | 
 | 
|---|
| 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()));
 | 
|---|
| 242 |   addInfo(this, "NonHydrogens", QString("%1").arg(mol->getNoNonHydrogen()));
 | 
|---|
| 243 |   addInfo(this, "Bonds", QString("%1").arg(mol->getBondCount()));
 | 
|---|
| 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]));
 | 
|---|
| 248 | }
 | 
|---|
| 249 | 
 | 
|---|
| 250 | QtMoleculeInfoPage::~QtMoleculeInfoPage(){
 | 
|---|
| 251 |   if (mol)
 | 
|---|
| 252 |     mol->signOff(this);
 | 
|---|
| 253 | }
 | 
|---|
| 254 | 
 | 
|---|
| 255 | void QtMoleculeInfoPage::update(Observable *subject){
 | 
|---|
| 256 |   if (dynamic_cast<molecule *>(subject) == mol)
 | 
|---|
| 257 |     updatePage();
 | 
|---|
| 258 | }
 | 
|---|
| 259 | 
 | 
|---|
| 260 | void QtMoleculeInfoPage::subjectKilled(Observable *subject){
 | 
|---|
| 261 |   mol = NULL;
 | 
|---|
| 262 |   emit moleculeKilled();
 | 
|---|
| 263 | }
 | 
|---|