/********************************************************************** LabelEngine - Engine for displaying labels. Copyright (C) 2007 Donald Ephraim Curtis Copyright (C) 2007 Benoit Jacob Copyright (C) 2007,2008 Marcus D. Hanwell This file is part of the Avogadro molecular editor project. For more information, see Avogadro is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. Avogadro is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. **********************************************************************/ #include "labelengine.h" #include #include #include #include #include #include #include #include #include #include #include using namespace std; using namespace Eigen; namespace Avogadro { LabelEngine::LabelEngine(QObject *parent) : Engine(parent), m_atomType(1), m_bondType(0), m_settingsWidget(0) { } Engine *LabelEngine::clone() const { LabelEngine *engine = new LabelEngine(parent()); engine->setAlias(alias()); engine->setAtomType(m_atomType); engine->setBondType(m_bondType); engine->setEnabled(isEnabled()); return engine; } bool LabelEngine::renderOpaque(PainterDevice *pd) { if (m_atomType > 0) { // Render atom labels foreach(Atom *a, atoms()) renderOpaque(pd, a); } if (m_bondType > 0) { // Now render the bond labels foreach(Bond *b, bonds()) renderOpaque(pd, b); } return true; } bool LabelEngine::renderQuick(PainterDevice *) { // Don't render text when moving... return true; } bool LabelEngine::renderOpaque(PainterDevice *pd, const Atom *a) { // Render atom labels const Vector3d pos = *a->pos(); double renderRadius = pd->radius(a); renderRadius += 0.05; double zDistance = pd->camera()->distance(pos); if(zDistance < 50.0) { QString str; switch(m_atomType) { case 1: // Atom index str = QString::number(a->index() + 1); break; case 3: // Atomic Symbol str = QString(OpenBabel::etab.GetSymbol(a->atomicNumber())); break; case 4: // Residue name if (a->residue()) str = a->residue()->name(); break; case 5: // Residue number if (a->residue()) str = a->residue()->number(); break; case 6: // Partial charge str = QString::number(const_cast(a)->partialCharge(), 'g', 2); break; case 7: // Unique ID str = QString::number(a->id()); break; case 2: // Element name str = ElementTranslator::name(a->atomicNumber()); break; default: // some custom data -- if available int customIndex = m_atomType - 7 - 1; QList propertyNames = a->dynamicPropertyNames(); // If this is a strange offset, use the element symbol if ( customIndex < 0 || customIndex >= propertyNames.size()) { str = QString(OpenBabel::etab.GetSymbol(a->atomicNumber())); } else str = a->property(propertyNames[customIndex].data()).toString(); } Vector3d zAxis = pd->camera()->backTransformedZAxis(); Vector3d drawPos = pos + zAxis * renderRadius; glColor3f(1.0, 1.0, 1.0); pd->painter()->drawText(drawPos, str); } return true; } bool LabelEngine::renderOpaque(PainterDevice *pd, const Bond *b) { // Render bond labels Atom* atom1 = pd->molecule()->atomById(b->beginAtomId()); Atom* atom2 = pd->molecule()->atomById(b->endAtomId()); Vector3d v1 (*atom1->pos()); Vector3d v2 (*atom2->pos()); Vector3d d = v2 - v1; d.normalize(); // Work out the radii of the atoms and the bond double renderRadius = pd->radius(b); double renderRadiusA1 = pd->radius(atom1); double renderRadiusA2 = pd->radius(atom2); // If the render radius is zero then this view does not draw bonds if (!renderRadius) return false; renderRadius += 0.05; // Calculate the Vector3d pos ( (v1 + v2 + d*(renderRadiusA1-renderRadiusA2)) / 2.0 ); double zDistance = pd->camera()->distance(pos); if(zDistance < 50.0) { QString str; switch(m_bondType) { case 1: str = QString::number(b->length(), 'g', 4); break; case 2: str = QString::number(b->index() + 1); break; case 4: str = QString::number(b->id()); break; case 3: default: str = QString::number(b->order()); } Vector3d zAxis = pd->camera()->backTransformedZAxis(); Vector3d drawPos = pos + zAxis * renderRadius; glColor3f(1.0, 1.0, 1.0); pd->painter()->drawText(drawPos, str); } return true; } void LabelEngine::setAtomType(int value) { m_atomType = value; emit changed(); } void LabelEngine::setBondType(int value) { m_bondType = value; emit changed(); } QWidget *LabelEngine::settingsWidget() { if(!m_settingsWidget) { m_settingsWidget = new LabelSettingsWidget(); m_settingsWidget->atomType->setCurrentIndex(m_atomType); m_settingsWidget->bondType->setCurrentIndex(m_bondType); connect(m_settingsWidget->atomType, SIGNAL(activated(int)), this, SLOT(setAtomType(int))); connect(m_settingsWidget->bondType, SIGNAL(activated(int)), this, SLOT(setBondType(int))); connect(m_settingsWidget, SIGNAL(destroyed()), this, SLOT(settingsWidgetDestroyed())); } return m_settingsWidget; } void LabelEngine::settingsWidgetDestroyed() { qDebug() << "Destroyed Settings Widget"; m_settingsWidget = 0; } Engine::Layers LabelEngine::layers() const { return Engine::Overlay; } Engine::ColorTypes LabelEngine::colorTypes() const { return Engine::NoColors; } void LabelEngine::writeSettings(QSettings &settings) const { Engine::writeSettings(settings); settings.setValue("atomLabel", m_atomType); settings.setValue("bondLabel", m_bondType); } void LabelEngine::readSettings(QSettings &settings) { Engine::readSettings(settings); setAtomType(settings.value("atomLabel", 1).toInt()); setBondType(settings.value("bondLabel", 0).toInt()); if(m_settingsWidget) { m_settingsWidget->atomType->setCurrentIndex(m_atomType); m_settingsWidget->bondType->setCurrentIndex(m_bondType); } } } #include "labelengine.moc" Q_EXPORT_PLUGIN2(labelengine, Avogadro::LabelEngineFactory)