| 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","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 | refill(); | 
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| 79 |  | 
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| 80 | qRegisterMetaType<QItemSelection>("QItemSelection"); | 
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| 81 | //connect(this,SIGNAL(cellChanged(int,int)),this,SLOT(moleculeChanged(int,int))); | 
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| 82 | connect(selectionModel(),SIGNAL(selectionChanged(QItemSelection, QItemSelection)),this,SLOT(rowsSelected(QItemSelection, QItemSelection))); | 
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| 83 |  | 
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| 84 | } | 
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| 85 |  | 
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| 86 | QtMoleculeList::~QtMoleculeList() | 
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| 87 | { | 
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| 88 | World::getInstance().signOff(this);//, World::MoleculeInserted); | 
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| 89 | //World::getInstance().signOff(this, World::MoleculeRemoved); | 
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| 90 | } | 
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| 91 |  | 
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| 92 | void QtMoleculeList::update(Observable *publisher) { | 
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| 93 |  | 
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| 94 | if (selecting) | 
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| 95 | return; | 
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| 96 |  | 
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| 97 | dirty = true; | 
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| 98 |  | 
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| 99 | // force an update from Qt... | 
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| 100 | clearing = true; | 
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| 101 | clear(); | 
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| 102 | clearing = false; | 
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| 103 | } | 
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| 104 |  | 
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| 105 | void QtMoleculeList::refill() { | 
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| 106 | clearing = true; | 
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| 107 | const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules(); | 
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| 108 |  | 
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| 109 | clear(); | 
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| 110 |  | 
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| 111 | // list of (unique) formulas in the world | 
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| 112 | std::vector<Formula> formula; | 
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| 113 |  | 
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| 114 | for (std::vector<molecule*>::const_iterator iter = molecules.begin(); | 
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| 115 | iter != molecules.end(); | 
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| 116 | iter++) { | 
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| 117 |  | 
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| 118 | // find group if already in list | 
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| 119 | QTreeWidgetItem *groupItem = NULL; | 
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| 120 | for (unsigned int j=0;j<formula.size();j++) | 
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| 121 | if ((*iter)->getFormula() == formula[j]){ | 
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| 122 | groupItem = topLevelItem(j); | 
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| 123 | break; | 
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| 124 | } | 
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| 125 |  | 
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| 126 | // new molecule type -> create new group | 
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| 127 | if (!groupItem){ | 
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| 128 | formula.push_back((*iter)->getFormula()); | 
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| 129 | groupItem = new QTreeWidgetItem(this); | 
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| 130 | groupItem->setText(0, QString((*iter)->getName().c_str())); | 
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| 131 | groupItem->setText(1, QString::number((*iter)->getAtomCount())); | 
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| 132 | groupItem->setText(2, QString((*iter)->getFormula().toString().c_str())); | 
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| 133 | groupItem->setText(3, "0"); | 
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| 134 | groupItem->setData(0, Qt::UserRole, QVariant(-1)); | 
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| 135 | } | 
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| 136 |  | 
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| 137 | // add molecule | 
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| 138 | QTreeWidgetItem *molItem = new QTreeWidgetItem(groupItem); | 
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| 139 | molItem->setText(0, QString((*iter)->getName().c_str())); | 
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| 140 | molItem->setText(1, QString::number((*iter)->getAtomCount())); | 
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| 141 | molItem->setText(2, QString((*iter)->getFormula().toString().c_str())); | 
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| 142 | const int index = (*iter)->getId(); | 
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| 143 | molItem->setData(0, Qt::UserRole, QVariant(index)); | 
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| 144 | molItem->setSelected(World::getInstance().isSelected(*iter)); | 
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| 145 |  | 
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| 146 |  | 
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| 147 | // increase group occurrence | 
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| 148 | int count = groupItem->text(3).toInt() + 1; | 
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| 149 | groupItem->setText(3, QString::number(count)); | 
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| 150 | } | 
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| 151 | dirty = false; | 
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| 152 | clearing = false; | 
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| 153 | } | 
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| 154 |  | 
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| 155 | void QtMoleculeList::paintEvent(QPaintEvent * event) | 
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| 156 | { | 
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| 157 | if (dirty) | 
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| 158 | refill(); | 
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| 159 | QTreeWidget::paintEvent(event); | 
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| 160 | } | 
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| 161 |  | 
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| 162 | void QtMoleculeList::subjectKilled(Observable *publisher) { | 
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| 163 | } | 
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| 164 |  | 
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| 165 | void QtMoleculeList::moleculeChanged() { | 
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| 166 | /*int idx = verticalHeaderItem(row)->data(Qt::UserRole).toInt(); | 
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| 167 | molecule *mol = molecules->ReturnIndex(idx); | 
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| 168 | string cellValue = item(row,NAME)->text().toStdString(); | 
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| 169 | if(mol->getName() != cellValue && cellValue !="") { | 
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| 170 | mol->setName(cellValue); | 
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| 171 | } | 
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| 172 | else if(cellValue==""){ | 
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| 173 | item(row,NAME)->setText(QString(mol->getName().c_str())); | 
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| 174 | }*/ | 
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| 175 | } | 
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| 176 |  | 
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| 177 | void QtMoleculeList::rowsSelected(const QItemSelection & selected, const QItemSelection & deselected){ | 
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| 178 |  | 
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| 179 | if (clearing) | 
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| 180 | return; | 
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| 181 | if (selecting) | 
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| 182 | return; | 
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| 183 | selecting = true; | 
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| 184 |  | 
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| 185 | // Select all molecules which belong to newly selected rows. | 
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| 186 | QModelIndex index; | 
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| 187 | QModelIndexList items = selected.indexes(); | 
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| 188 | foreach (index, items) | 
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| 189 | if (index.column() == 0){ | 
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| 190 | int mol_id = model()->data(index, Qt::UserRole).toInt(); | 
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| 191 | if (mol_id < 0) | 
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| 192 | continue; | 
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| 193 | //std::cout << "select molecule" << std::endl; | 
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| 194 | MoleCuilder::SelectionMoleculeById(mol_id); | 
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| 195 | } | 
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| 196 |  | 
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| 197 | // Unselect all molecules which belong to newly unselected rows. | 
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| 198 | items = deselected.indexes(); | 
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| 199 | foreach (index, items) | 
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| 200 | if (index.column() == 0){ | 
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| 201 | int mol_id = model()->data(index, Qt::UserRole).toInt(); | 
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| 202 | if (mol_id < 0) | 
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| 203 | continue; | 
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| 204 | //std::cout << "unselect molecule" << std::endl; | 
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| 205 | MoleCuilder::SelectionNotMoleculeById(mol_id); | 
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| 206 | } | 
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| 207 |  | 
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| 208 | selecting = false; | 
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| 209 | } | 
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