/********************************************************************** HBondEngine - Hydrogen Bond Engine Copyright (C) 2007 by Marcus D. Hanwell Copyright (C) 2007,2009 by Tim Vandermeersch 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. **********************************************************************/ #ifndef HBONDENGINE_H #define HBONDENGINE_H #include #include #include "ui_hbondsettingswidget.h" namespace Avogadro { //! HBond Engine class. class HBondSettingsWidget; class HBondEngine : public Engine { Q_OBJECT AVOGADRO_ENGINE("Hydrogen Bond", tr("Hydrogen Bond"), tr("Renders hydrogen bonds")) public: //! Constructor HBondEngine(QObject *parent=0); Engine *clone() const; //! Deconstructor ~HBondEngine(); //! \name Render Methods //@{ bool renderOpaque(PainterDevice *pd); //@} double radius(const PainterDevice *pd, const Primitive *p = 0) const; QWidget* settingsWidget(); /** * Write the engine settings so that they can be saved between sessions. */ void writeSettings(QSettings &settings) const; /** * Read in the settings that have been saved for the engine instance. */ void readSettings(QSettings &settings); private: HBondSettingsWidget *m_settingsWidget; double m_width; double m_radius; double m_angle; bool isHbondAcceptor(Atom *atom); bool isHbondDonor(Atom *atom); bool isHbondDonorH(Atom *atom); private Q_SLOTS: void settingsWidgetDestroyed(); /** * @param value width of the hydrogen bonds */ void setWidth(int value); /** * @param value cut-off radius for HBond detection */ void setRadius(double value); /** * @param value cut-off angle for HBond detection */ void setAngle(double value); }; class HBondSettingsWidget : public QWidget, public Ui::HBondSettingsWidget { public: HBondSettingsWidget(QWidget *parent=0) : QWidget(parent) { setupUi(this); } }; //! Generates instances of our HBondEngine class class HBondEngineFactory : public QObject, public PluginFactory { Q_OBJECT Q_INTERFACES(Avogadro::PluginFactory) AVOGADRO_ENGINE_FACTORY(HBondEngine) }; } // end namespace Avogadro #endif