| [bcf653] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [0aa122] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| [94d5ac6] | 5 | * | 
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|  | 6 | * | 
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|  | 7 | *   This file is part of MoleCuilder. | 
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|  | 8 | * | 
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|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 10 | *    it under the terms of the GNU General Public License as published by | 
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|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 12 | *    (at your option) any later version. | 
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|  | 13 | * | 
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|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 17 | *    GNU General Public License for more details. | 
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|  | 18 | * | 
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|  | 19 | *    You should have received a copy of the GNU General Public License | 
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|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| [bcf653] | 21 | */ | 
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|  | 22 |  | 
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| [b47bfc] | 23 | /* | 
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| [3c53fa] | 24 | * QtInfoBox.cpp | 
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| [b47bfc] | 25 | * | 
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|  | 26 | *  Created on: Mar 4, 2010 | 
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|  | 27 | *      Author: crueger | 
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|  | 28 | */ | 
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|  | 29 |  | 
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| [bf3817] | 30 | // include config.h | 
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|  | 31 | #ifdef HAVE_CONFIG_H | 
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|  | 32 | #include <config.h> | 
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|  | 33 | #endif | 
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| [bbbad5] | 34 |  | 
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| [3c53fa] | 35 | #include "Views/Qt4/QtInfoBox.hpp" | 
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| [b47bfc] | 36 |  | 
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|  | 37 | #include <iostream> | 
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| [4f7473] | 38 | #include <QAbstractItemView> | 
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| [b47bfc] | 39 |  | 
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| [ad011c] | 40 | #include "CodePatterns/MemDebug.hpp" | 
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| [bbbad5] | 41 |  | 
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|  | 42 | #include "molecule.hpp" | 
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| [4f7473] | 43 | #include "Element/element.hpp" | 
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| [b47bfc] | 44 |  | 
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|  | 45 | using namespace std; | 
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|  | 46 |  | 
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|  | 47 | /***************** Basic structure for tab layout ***********/ | 
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|  | 48 |  | 
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| [3c53fa] | 49 | QtInfoBox::QtInfoBox() : | 
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| [7b6bcfe] | 50 | QTabWidget(), | 
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| [4a2f3e] | 51 | curAtom(NULL), nextAtom(NULL), | 
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| [2b596f] | 52 | curMolecule(NULL), nextMolecule(NULL), | 
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| [7b6bcfe] | 53 | page_mol(NULL), page_atom(NULL) | 
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| [b47bfc] | 54 | { | 
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| [4a2f3e] | 55 | timer = new QTimer(this); | 
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|  | 56 | timer->setSingleShot(true); | 
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| [b47bfc] | 57 |  | 
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| [0b2be1] | 58 | setMinimumWidth(200); | 
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| [5dcb3c] | 59 | setMinimumHeight(220); | 
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| [52575c] | 60 | currentPage = 0; | 
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| [0b2be1] | 61 |  | 
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| [4a2f3e] | 62 | connect(timer, SIGNAL(timeout()), this, SLOT(timerTimeout())); | 
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| [b47bfc] | 63 | } | 
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|  | 64 |  | 
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| [3c53fa] | 65 | QtInfoBox::~QtInfoBox() | 
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| [be374a] | 66 | { | 
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|  | 67 | clearTabs(); | 
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|  | 68 | } | 
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| [b47bfc] | 69 |  | 
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| [2b596f] | 70 | void QtInfoBox::atomHover(const atom &_atom) | 
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| [4a2f3e] | 71 | { | 
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| [2b596f] | 72 | nextAtom = &_atom; | 
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|  | 73 | timer->start(500); | 
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|  | 74 | } | 
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|  | 75 |  | 
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|  | 76 | void QtInfoBox::moleculeHover(const molecule &_mol) | 
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|  | 77 | { | 
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|  | 78 | nextMolecule = &_mol; | 
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| [4a2f3e] | 79 | timer->start(500); | 
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| [b47bfc] | 80 | } | 
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|  | 81 |  | 
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| [3c53fa] | 82 | void QtInfoBox::timerTimeout() | 
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| [4a2f3e] | 83 | { | 
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|  | 84 | if (nextAtom) | 
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|  | 85 | showAtom(nextAtom); | 
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| [2b596f] | 86 | if (nextMolecule) | 
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|  | 87 | showMolecule(nextMolecule); | 
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| [b47bfc] | 88 | } | 
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|  | 89 |  | 
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| [3c53fa] | 90 | void QtInfoBox::clearTabs() | 
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| [7b6bcfe] | 91 | { | 
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|  | 92 | if (page_atom){ | 
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| [be374a] | 93 | //removeTab(indexOf(page_atom)); | 
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| [7b6bcfe] | 94 | delete(page_atom); | 
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|  | 95 | page_atom = NULL; | 
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|  | 96 | } | 
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|  | 97 | if (page_mol){ | 
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| [be374a] | 98 | //removeTab(indexOf(page_mol)); | 
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| [7b6bcfe] | 99 | delete(page_mol); | 
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|  | 100 | page_mol = NULL; | 
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|  | 101 | } | 
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| [be374a] | 102 | } | 
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| [7b6bcfe] | 103 |  | 
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| [3c53fa] | 104 | void QtInfoBox::showAtom(const atom *_atom) | 
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| [be374a] | 105 | { | 
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| [52575c] | 106 | currentPage = currentIndex(); | 
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|  | 107 |  | 
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| [be374a] | 108 | // Remove old tabs. | 
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|  | 109 | clearTabs(); | 
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|  | 110 |  | 
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|  | 111 | curAtom = _atom; | 
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| [2b596f] | 112 | nextAtom = NULL; | 
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|  | 113 | nextMolecule = NULL; | 
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| [7b6bcfe] | 114 |  | 
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|  | 115 | // Show new tabs. | 
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| [4a2f3e] | 116 | if (curAtom){ | 
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| [0b2be1] | 117 | page_atom = new QtAtomInfoPage(curAtom, this); | 
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| [4f7473] | 118 | addTab(page_atom, "Atom"); | 
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| [be374a] | 119 | connect(page_atom, SIGNAL(atomKilled()), this, SLOT(clearTabs())); | 
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| [4f7473] | 120 |  | 
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| [7772aa] | 121 | if (curAtom->getMolecule()){ | 
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| [0b2be1] | 122 | page_mol = new QtMoleculeInfoPage(curAtom->getMolecule(), this); | 
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| [7772aa] | 123 | addTab(page_mol, "Molecule"); | 
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| [be374a] | 124 | connect(page_mol, SIGNAL(moleculeKilled()), this, SLOT(clearTabs())); | 
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| [52575c] | 125 |  | 
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|  | 126 | if (currentPage > 0) | 
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|  | 127 | setCurrentIndex(currentPage); | 
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| [7772aa] | 128 | } | 
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| [7b6bcfe] | 129 | } | 
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|  | 130 | } | 
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|  | 131 |  | 
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| [2b596f] | 132 | void QtInfoBox::showMolecule(const molecule *_mol) | 
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|  | 133 | { | 
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|  | 134 | currentPage = currentIndex(); | 
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|  | 135 |  | 
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|  | 136 | // Remove old tabs. | 
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|  | 137 | clearTabs(); | 
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|  | 138 |  | 
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|  | 139 | curMolecule = _mol; | 
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|  | 140 | nextAtom = NULL; | 
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|  | 141 | nextMolecule = NULL; | 
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|  | 142 |  | 
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|  | 143 | // Show new tabs. | 
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|  | 144 | if (curMolecule){ | 
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|  | 145 | page_mol = new QtMoleculeInfoPage(curMolecule, this); | 
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|  | 146 | addTab(page_mol, "Molecule"); | 
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|  | 147 | connect(page_mol, SIGNAL(moleculeKilled()), this, SLOT(clearTabs())); | 
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|  | 148 |  | 
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|  | 149 | if (currentPage > 0) | 
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|  | 150 | setCurrentIndex(currentPage); | 
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|  | 151 | } | 
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|  | 152 | } | 
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|  | 153 |  | 
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| [7b6bcfe] | 154 | /************************ Tab for single Atoms ********************/ | 
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| [b47bfc] | 155 |  | 
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| [4f7473] | 156 | static void addInfo(QTreeWidget *info, const QString &key, const QString &value) | 
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|  | 157 | { | 
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|  | 158 | QTreeWidgetItem *treeItem = new QTreeWidgetItem(info); | 
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|  | 159 | treeItem->setText(0, key); | 
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|  | 160 | treeItem->setText(1, value); | 
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|  | 161 | } | 
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|  | 162 |  | 
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| [0b2be1] | 163 | QtAtomInfoPage::QtAtomInfoPage(const atom *_atom, QWidget *parent) : | 
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|  | 164 | QTreeWidget(parent), | 
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| [7b6bcfe] | 165 | Observer("QTAtomPage"), | 
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| [4f7473] | 166 | atomRef(_atom) | 
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| [7b6bcfe] | 167 | { | 
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|  | 168 | atomRef->signOn(this); | 
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| [4f7473] | 169 |  | 
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| [0b2be1] | 170 | setColumnCount(2); | 
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| [4f7473] | 171 | QStringList header; | 
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|  | 172 | header << "data"; | 
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|  | 173 | header << "value"; | 
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| [0b2be1] | 174 | setHeaderLabels(header); | 
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| [4f7473] | 175 |  | 
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| [5e4bfd] | 176 | addInfo(this, "Name", QString(atomRef->getName().c_str())); | 
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| [0b2be1] | 177 | addInfo(this, "Element", QString(atomRef->getElement().getName().c_str())); | 
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|  | 178 | addInfo(this, "Mass", QString("%1").arg(atomRef->getMass())); | 
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|  | 179 | addInfo(this, "Charge", QString("%1").arg(atomRef->getCharge())); | 
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|  | 180 | addInfo(this, "Bonds", QString("%1").arg(atomRef->getListOfBonds().size())); | 
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| [5dcb3c] | 181 | addInfo(this, "Position x", QString(toString(atomRef->getPosition()[0]).c_str())); | 
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|  | 182 | addInfo(this, "Position y", QString(toString(atomRef->getPosition()[1]).c_str())); | 
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|  | 183 | addInfo(this, "Position z", QString(toString(atomRef->getPosition()[2]).c_str())); | 
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| [7b6bcfe] | 184 | } | 
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| [b47bfc] | 185 |  | 
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| [3c53fa] | 186 | QtAtomInfoPage::~QtAtomInfoPage() | 
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| [7b6bcfe] | 187 | { | 
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| [be374a] | 188 | if (atomRef) | 
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|  | 189 | atomRef->signOff(this); | 
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| [7b6bcfe] | 190 | } | 
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| [b47bfc] | 191 |  | 
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| [3c53fa] | 192 | void QtAtomInfoPage::update(Observable *subject){ | 
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| [7b6bcfe] | 193 | /*if(name != atomRef->name){ | 
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|  | 194 | name = atomRef->name; | 
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|  | 195 | emit nameChanged(this,name); | 
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|  | 196 | }*/ | 
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|  | 197 | } | 
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| [b47bfc] | 198 |  | 
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| [3c53fa] | 199 | void QtAtomInfoPage::subjectKilled(Observable *subject){ | 
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| [be374a] | 200 | atomRef = NULL; | 
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|  | 201 | emit atomKilled(); | 
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|  | 202 | } | 
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| [b47bfc] | 203 |  | 
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|  | 204 | /************************ Tab for single Molecules *****************/ | 
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|  | 205 |  | 
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| [0b2be1] | 206 | QtMoleculeInfoPage::QtMoleculeInfoPage(const molecule *_mol, QWidget *parent) : | 
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|  | 207 | QTreeWidget(parent), | 
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| [b47bfc] | 208 | Observer("QTMoleculePage"), | 
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| [4f7473] | 209 | mol(_mol) | 
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| [b47bfc] | 210 | { | 
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|  | 211 | mol->signOn(this); | 
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| [4f7473] | 212 |  | 
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| [0b2be1] | 213 | setColumnCount(2); | 
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| [4f7473] | 214 | QStringList header; | 
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|  | 215 | header << "data"; | 
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|  | 216 | header << "value"; | 
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| [0b2be1] | 217 | setHeaderLabels(header); | 
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| [4f7473] | 218 |  | 
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| [0b2be1] | 219 | addInfo(this, "Name", QString(mol->getName().c_str())); | 
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|  | 220 | addInfo(this, "Formula", QString(mol->getFormula().toString().c_str())); | 
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|  | 221 | addInfo(this, "Atoms", QString("%1").arg(mol->getAtomCount())); | 
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| [5dcb3c] | 222 | addInfo(this, "NonHydrogens", QString("%1").arg(mol->getNoNonHydrogen())); | 
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| [0b2be1] | 223 | addInfo(this, "Bonds", QString("%1").arg(mol->getBondCount())); | 
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| [5dcb3c] | 224 | const Vector molCenter = mol->DetermineCenterOfAll(); | 
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|  | 225 | addInfo(this, "Center x", QString("%1").arg(molCenter[0])); | 
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|  | 226 | addInfo(this, "Center y", QString("%1").arg(molCenter[1])); | 
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|  | 227 | addInfo(this, "Center z", QString("%1").arg(molCenter[2])); | 
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| [b47bfc] | 228 | } | 
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|  | 229 |  | 
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| [3c53fa] | 230 | QtMoleculeInfoPage::~QtMoleculeInfoPage(){ | 
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| [be374a] | 231 | if (mol) | 
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|  | 232 | mol->signOff(this); | 
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| [b47bfc] | 233 | } | 
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|  | 234 |  | 
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| [3c53fa] | 235 | void QtMoleculeInfoPage::update(Observable *subject){  std::cout << "tab mol update\n"; | 
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| [b47bfc] | 236 | } | 
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|  | 237 |  | 
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| [3c53fa] | 238 | void QtMoleculeInfoPage::subjectKilled(Observable *subject){ | 
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| [be374a] | 239 | mol = NULL; | 
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|  | 240 | emit moleculeKilled(); | 
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|  | 241 | } | 
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