| 1 | /* | 
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| 2 | * Project: MoleCuilder | 
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| 3 | * Description: creates and alters molecular systems | 
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| 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| 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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| 21 | */ | 
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| 22 |  | 
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| 23 | /* | 
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| 24 | * QtMoleculeList.cpp | 
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| 25 | * | 
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| 26 | *  Created on: Jan 21, 2010 | 
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| 27 | *      Author: crueger | 
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| 28 | */ | 
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| 29 |  | 
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| 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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| 34 |  | 
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| 35 | #include "Views/Qt4/QtMoleculeList.hpp" | 
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| 36 |  | 
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| 37 | #include <QMetaMethod> | 
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| 38 |  | 
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| 39 | #include <iostream> | 
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| 40 |  | 
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| 41 | #include "CodePatterns/MemDebug.hpp" | 
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| 42 |  | 
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| 43 | #include "Atom/atom.hpp" | 
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| 44 | #include "Formula.hpp" | 
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| 45 | #include "molecule.hpp" | 
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| 46 | #include "MoleculeListClass.hpp" | 
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| 47 | #include "Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp" | 
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| 48 | #include "Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp" | 
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| 49 |  | 
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| 50 | using namespace std; | 
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| 51 |  | 
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| 52 | // maybe this should go with the definition of molecules | 
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| 53 |  | 
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| 54 | // some attributes need to be easier to find for molecules | 
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| 55 | // these attributes are skipped so far | 
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| 56 | const int QtMoleculeList::COLUMNCOUNT = COLUMNTYPES_MAX; | 
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| 57 | const char *QtMoleculeList::COLUMNNAMES[QtMoleculeList::COLUMNCOUNT]={"Name","Visibility", "Atoms","Formula","Occurrence"/*,"Size"*/}; | 
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| 58 |  | 
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| 59 | QtMoleculeList::QtMoleculeList(QWidget * _parent) : | 
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| 60 | QTreeWidget (_parent), | 
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| 61 | Observer("QtMoleculeList") | 
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| 62 | { | 
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| 63 | setColumnCount(COLUMNCOUNT); | 
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| 64 | setSelectionMode(QAbstractItemView::MultiSelection); | 
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| 65 |  | 
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| 66 | QStringList header; | 
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| 67 | for(int i=0; i<COLUMNCOUNT;++i) | 
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| 68 | header << COLUMNNAMES[i]; | 
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| 69 | setHeaderLabels(header); | 
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| 70 |  | 
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| 71 | World::getInstance().signOn(this, World::MoleculeInserted); | 
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| 72 | World::getInstance().signOn(this, World::MoleculeRemoved); | 
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| 73 |  | 
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| 74 |  | 
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| 75 | dirty = true; | 
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| 76 | clearing = false; | 
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| 77 | selecting = false; | 
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| 78 | ChangingChildrensVisibility = false; | 
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| 79 | refill(); | 
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| 80 |  | 
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| 81 | qRegisterMetaType<QItemSelection>("QItemSelection"); | 
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| 82 | //connect(this,SIGNAL(cellChanged(int,int)),this,SLOT(moleculeChanged(int,int))); | 
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| 83 | connect(selectionModel(),SIGNAL(selectionChanged(QItemSelection, QItemSelection)),this,SLOT(rowsSelected(QItemSelection, QItemSelection))); | 
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| 84 | connect(this, SIGNAL(itemChanged(QTreeWidgetItem*, int)), this, SLOT(visibilityChanged(QTreeWidgetItem*, int))); | 
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| 85 | } | 
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| 86 |  | 
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| 87 | QtMoleculeList::~QtMoleculeList() | 
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| 88 | { | 
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| 89 | World::getInstance().signOff(this, World::MoleculeInserted); | 
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| 90 | World::getInstance().signOff(this, World::MoleculeRemoved); | 
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| 91 | } | 
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| 92 |  | 
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| 93 | void QtMoleculeList::update(Observable *publisher) { | 
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| 94 | ASSERT(0, | 
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| 95 | "QtMoleculeList::update() - we did not sign up for any global updates."); | 
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| 96 | } | 
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| 97 |  | 
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| 98 | void QtMoleculeList::recieveNotification(Observable *publisher, Notification_ptr notification) { | 
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| 99 |  | 
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| 100 | if (selecting) | 
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| 101 | return; | 
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| 102 |  | 
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| 103 | dirty = true; | 
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| 104 | } | 
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| 105 |  | 
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| 106 |  | 
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| 107 | void QtMoleculeList::refill() { | 
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| 108 | clearing = true; | 
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| 109 | const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules(); | 
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| 110 |  | 
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| 111 | clear(); | 
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| 112 | formula.clear(); | 
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| 113 | FormulaVisibilityCountMap.clear(); | 
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| 114 |  | 
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| 115 | for (std::vector<molecule*>::const_iterator iter = molecules.begin(); | 
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| 116 | iter != molecules.end(); | 
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| 117 | iter++) { | 
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| 118 |  | 
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| 119 | // find group if already in list | 
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| 120 | QTreeWidgetItem *groupItem = NULL; | 
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| 121 | const std::string &molecule_formula = (*iter)->getFormula().toString(); | 
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| 122 | FormulaTreeItemMap_t::const_iterator formulaiter = | 
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| 123 | formula.find(molecule_formula); | 
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| 124 |  | 
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| 125 | // new molecule type -> create new group | 
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| 126 | if (formulaiter == formula.end()){ | 
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| 127 | // insert new formula entry into visibility | 
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| 128 | #ifndef NDEBUG | 
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| 129 | std::pair< FormulaVisibilityCountMap_t::iterator, bool> visibilityinserter = | 
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| 130 | #endif | 
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| 131 | FormulaVisibilityCountMap.insert( | 
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| 132 | std::make_pair( molecule_formula, (unsigned int)0) ); | 
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| 133 | ASSERT( visibilityinserter.second, | 
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| 134 | "QtMoleculeList::refill() - molecule with formula " | 
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| 135 | +molecule_formula+" already in FormulaVisibilityCountMap."); | 
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| 136 |  | 
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| 137 | // create item and place into Map with formula as key | 
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| 138 | groupItem = new QTreeWidgetItem(this); | 
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| 139 | formula.insert( std::make_pair(molecule_formula, groupItem) ); | 
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| 140 | // fill item | 
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| 141 | groupItem->setText(NAME, QString("default")); | 
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| 142 | groupItem->setFlags((groupItem->flags() | Qt::ItemIsUserCheckable) ^ Qt::ItemIsSelectable); | 
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| 143 | groupItem->setCheckState(VISIBILITY, Qt::Unchecked); | 
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| 144 | groupItem->setText(ATOMCOUNT, QString::number(0)); | 
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| 145 | groupItem->setText(FORMULA, QString("")); | 
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| 146 | groupItem->setText(OCCURRENCE, "0"); | 
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| 147 | groupItem->setData(0, Qt::UserRole, QVariant(-1)); | 
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| 148 | } else { | 
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| 149 | groupItem = formulaiter->second; | 
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| 150 | } | 
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| 151 |  | 
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| 152 | // add molecule | 
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| 153 | QTreeWidgetItem *molItem = new QTreeWidgetItem(groupItem); | 
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| 154 | molItem->setText(NAME, QString((*iter)->getName().c_str())); | 
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| 155 | molItem->setFlags(molItem->flags() | Qt::ItemIsUserCheckable | Qt::ItemIsSelectable); | 
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| 156 | molItem->setCheckState(VISIBILITY, Qt::Unchecked); | 
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| 157 | molItem->setText(ATOMCOUNT, QString::number((*iter)->getAtomCount())); | 
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| 158 | molItem->setText(FORMULA, QString(molecule_formula.c_str())); | 
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| 159 | const int index = (*iter)->getId(); | 
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| 160 | molItem->setData(0, Qt::UserRole, QVariant(index)); | 
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| 161 | molItem->setSelected(World::getInstance().isSelected(*iter)); | 
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| 162 |  | 
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| 163 | // increase group occurrence | 
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| 164 | int count = groupItem->text(OCCURRENCE).toInt() + 1; | 
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| 165 | groupItem->setText(OCCURRENCE, QString::number(count)); | 
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| 166 | } | 
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| 167 | dirty = false; | 
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| 168 | clearing = false; | 
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| 169 | } | 
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| 170 |  | 
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| 171 | void QtMoleculeList::paintEvent(QPaintEvent * event) | 
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| 172 | { | 
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| 173 | if (dirty) | 
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| 174 | refill(); | 
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| 175 | QTreeWidget::paintEvent(event); | 
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| 176 | } | 
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| 177 |  | 
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| 178 | void QtMoleculeList::subjectKilled(Observable *publisher) { | 
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| 179 | } | 
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| 180 |  | 
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| 181 | void QtMoleculeList::visibilityChanged(QTreeWidgetItem* item, int column) | 
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| 182 | { | 
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| 183 | if ((!clearing) && (!ChangingChildrensVisibility)) | 
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| 184 | if (column == VISIBILITY) { | 
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| 185 | const moleculeId_t molid = item->data(0, Qt::UserRole).toInt(); | 
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| 186 | const bool visible = item->checkState(VISIBILITY); | 
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| 187 | if (molid != (unsigned int)-1) { // molecule item | 
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| 188 | const molecule * const _molecule = | 
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| 189 | World::getInstance().getMolecule(MoleculeById(molid)); | 
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| 190 | ASSERT( _molecule != NULL, | 
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| 191 | "QtMoleculeList::visibilityChanged() - molecule with id " | 
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| 192 | +toString(molid)+" is not known to World."); | 
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| 193 | const std::string &molecule_formula = _molecule->getFormula().toString(); | 
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| 194 | ASSERT( FormulaVisibilityCountMap.count(molecule_formula) != 0, | 
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| 195 | "QtMoleculeList::visibilityChanged() - molecule with formula " +molecule_formula | 
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| 196 | +" is not present in FormulaVisibilityCountMap."); | 
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| 197 |  | 
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| 198 | // get parent | 
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| 199 | QTreeWidgetItem *groupItem = item->parent(); | 
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| 200 | ASSERT( groupItem != NULL, | 
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| 201 | "QtMoleculeList::visibilityChanged() - item with id "+toString(molid) | 
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| 202 | +" has not parent?"); | 
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| 203 | // check whether we have to set the group item | 
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| 204 |  | 
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| 205 | ChangingChildrensVisibility = true; | 
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| 206 | if (visible) { | 
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| 207 | ++(FormulaVisibilityCountMap[molecule_formula]); | 
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| 208 | // compare with occurence/total number of molecules | 
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| 209 | if (FormulaVisibilityCountMap[molecule_formula] == | 
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| 210 | (unsigned int)(groupItem->text(OCCURRENCE).toInt())) | 
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| 211 | groupItem->setCheckState(VISIBILITY, Qt::Checked); | 
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| 212 | } else { | 
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| 213 | --(FormulaVisibilityCountMap[molecule_formula]); | 
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| 214 | // none selected anymore? | 
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| 215 | if (FormulaVisibilityCountMap[molecule_formula] == 0) | 
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| 216 | groupItem->setCheckState(VISIBILITY, Qt::Unchecked); | 
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| 217 | } | 
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| 218 | ChangingChildrensVisibility = false; | 
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| 219 |  | 
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| 220 | emit moleculesVisibilityChanged(molid, visible); | 
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| 221 |  | 
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| 222 | } else { // group item | 
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| 223 |  | 
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| 224 | // go through all children, but don't enter for groupItem once more | 
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| 225 | ChangingChildrensVisibility = true; | 
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| 226 | for (int i=0;i<item->childCount();++i) { | 
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| 227 | QTreeWidgetItem *molItem = item->child(i); | 
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| 228 | const moleculeId_t molid = molItem->data(0, Qt::UserRole).toInt(); | 
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| 229 | ASSERT( molid != (unsigned int)-1, | 
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| 230 | "QtMoleculeList::visibilityChanged() - to child with index" | 
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| 231 | +toString(i)+" there is no molecule?"); | 
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| 232 | molItem->setCheckState(VISIBILITY, visible ? Qt::Checked : Qt::Unchecked); | 
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| 233 |  | 
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| 234 | // emit signal | 
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| 235 | emit moleculesVisibilityChanged(molid, visible); | 
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| 236 | } | 
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| 237 | // set current number of visible children | 
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| 238 | const std::string molecule_formula = | 
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| 239 | item->text(FORMULA).toStdString(); | 
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| 240 | FormulaVisibilityCountMap[molecule_formula] = | 
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| 241 | visible ? item->text(OCCURRENCE).toInt() : 0; | 
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| 242 |  | 
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| 243 | ChangingChildrensVisibility = false; | 
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| 244 | } | 
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| 245 | } | 
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| 246 | } | 
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| 247 |  | 
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| 248 | void QtMoleculeList::moleculeChanged() { | 
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| 249 | /*int idx = verticalHeaderItem(row)->data(Qt::UserRole).toInt(); | 
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| 250 | molecule *mol = molecules->ReturnIndex(idx); | 
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| 251 | string cellValue = item(row,NAME)->text().toStdString(); | 
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| 252 | if(mol->getName() != cellValue && cellValue !="") { | 
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| 253 | mol->setName(cellValue); | 
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| 254 | } | 
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| 255 | else if(cellValue==""){ | 
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| 256 | item(row,NAME)->setText(QString(mol->getName().c_str())); | 
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| 257 | }*/ | 
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| 258 | } | 
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| 259 |  | 
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| 260 | void QtMoleculeList::rowsSelected(const QItemSelection & selected, const QItemSelection & deselected){ | 
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| 261 |  | 
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| 262 | if (clearing) | 
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| 263 | return; | 
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| 264 | if (selecting) | 
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| 265 | return; | 
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| 266 | selecting = true; | 
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| 267 |  | 
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| 268 | // Select all molecules which belong to newly selected rows. | 
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| 269 | QModelIndex index; | 
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| 270 | { | 
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| 271 | QModelIndexList items = selected.indexes(); | 
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| 272 | molids_t ids; | 
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| 273 | ids.reserve(items.size()); | 
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| 274 | foreach (index, items) | 
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| 275 | if (index.column() == 0){ | 
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| 276 | int mol_id = model()->data(index, Qt::UserRole).toInt(); | 
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| 277 | if (mol_id < 0) | 
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| 278 | continue; | 
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| 279 | ids.push_back(mol_id); | 
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| 280 | //std::cout << "select molecule" << std::endl; | 
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| 281 | } | 
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| 282 | MoleCuilder::SelectionMoleculeById(ids); | 
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| 283 | } | 
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| 284 |  | 
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| 285 | // Unselect all molecules which belong to newly unselected rows. | 
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| 286 | { | 
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| 287 | QModelIndexList items = deselected.indexes(); | 
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| 288 | molids_t ids; | 
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| 289 | ids.reserve(items.size()); | 
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| 290 | foreach (index, items) | 
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| 291 | if (index.column() == 0){ | 
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| 292 | int mol_id = model()->data(index, Qt::UserRole).toInt(); | 
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| 293 | if (mol_id < 0) | 
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| 294 | continue; | 
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| 295 | //std::cout << "unselect molecule" << std::endl; | 
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| 296 | ids.push_back(mol_id); | 
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| 297 | } | 
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| 298 | MoleCuilder::SelectionNotMoleculeById(ids); | 
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| 299 | } | 
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| 300 |  | 
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| 301 | selecting = false; | 
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| 302 | } | 
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