/**************************************************************************************/ /* */ /* Visualization Library */ /* http://visualizationlibrary.org */ /* */ /* Copyright (c) 2005-2020, Michele Bosi */ /* All rights reserved. */ /* */ /* Redistribution and use in source and binary forms, with or without modification, */ /* are permitted provided that the following conditions are met: */ /* */ /* - Redistributions of source code must retain the above copyright notice, this */ /* list of conditions and the following disclaimer. */ /* */ /* - Redistributions in binary form must reproduce the above copyright notice, this */ /* list of conditions and the following disclaimer in the documentation and/or */ /* other materials provided with the distribution. */ /* */ /* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND */ /* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED */ /* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE */ /* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR */ /* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES */ /* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; */ /* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON */ /* ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT */ /* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS */ /* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. */ /* */ /**************************************************************************************/ #ifndef Bond_INCLUDE_ONCE #define Bond_INCLUDE_ONCE #include namespace vl { class Atom; //! Bond types. typedef enum { BT_None, BT_Single, BT_Double, BT_Triple, BT_Aromatic, BT_Amide, BT_Dummy, BT_Unknown } EBondType; /** The Bond class represents a bond to be used with the Molecule class. * \sa * - \ref pagGuideMolecule "Molecule Visualization Tutorial" * - Molecule * - Atom * * */ class Bond: public Object { VL_INSTRUMENT_CLASS(vl::Bond, Object) public: Bond(): mColor( 1.0f,1.0f,1.0f,1.0f ), mRadius(0.10f), mAtom1(NULL), mAtom2(NULL), mType(BT_Single), mId(0), mVisible(true), mUseAtomColors(true) { VL_DEBUG_SET_OBJECT_NAME() } Bond(const Bond& other): Object(other) { *this = other; } unsigned int id() const { return mId; } void setId(unsigned int id) { mId = id; } void setBondType(EBondType type) { mType = type; } EBondType bondType() const { return mType; } void setAtom1( Atom* atom ) { mAtom1 = atom; } Atom* atom1() const { return mAtom1; } void setAtom2( Atom* atom ) { mAtom2 = atom; } Atom* atom2() const { return mAtom2; } void setVisible(bool visible) { mVisible = visible; } bool visible() const { return mVisible; } void setColor(const fvec4& color) { mColor = color; } const fvec4& color() const { return mColor; } void setUseAtomColors(bool use_atom_color) { mUseAtomColors = use_atom_color; } bool useAtomColors() const { return mUseAtomColors; } float radius() const { return mRadius; } void setRadius(float radius) { mRadius = radius; } protected: fvec4 mColor; float mRadius; Atom* mAtom1; Atom* mAtom2; EBondType mType; unsigned int mId; bool mVisible; bool mUseAtomColors; }; } #endif