depict.h
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00001 /********************************************************************** 00002 depict.h - 2D Depiction of molecules using OBPainter. 00003 00004 Copyright (C) 2009-2010 by Tim Vandermeersch 00005 Some portions Copyright (C) 2009 by Chris Morley 00006 00007 This file is part of the Open Babel project. 00008 For more information, see <http://openbabel.org/> 00009 00010 This program is free software; you can redistribute it and/or modify 00011 it under the terms of the GNU General Public License as published by 00012 the Free Software Foundation version 2 of the License. 00013 00014 This program is distributed in the hope that it will be useful, 00015 but WITHOUT ANY WARRANTY; without even the implied warranty of 00016 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the 00017 GNU General Public License for more details. 00018 ***********************************************************************/ 00019 #ifndef OB_DEPICT_H 00020 #define OB_DEPICT_H 00021 00022 #include <openbabel/babelconfig.h> 00023 #include <openbabel/math/vector3.h> 00024 00025 namespace OpenBabel 00026 { 00027 00028 class OBMol; 00029 class OBPainter; 00030 class OBDepictPrivate; 00031 00032 #ifndef OBDEPICT 00033 #define OBDEPICT 00034 #endif 00035 00041 class OBDEPICT OBDepict 00042 { 00043 public: 00044 enum AtomLabelType { 00045 AtomId = 1, 00046 AtomIndex, 00047 AtomSymmetryClass, 00048 AtomValence, 00049 AtomTetrahedralStereo 00050 }; 00051 00052 enum OptionType{ 00053 bwAtoms = 0x0001, 00054 internalColor = 0x0002, 00055 drawTermC = 0x0010, 00056 drawAllC = 0x0020, 00057 noWedgeHashGen = 0x0100, 00058 asymmetricDoubleBond = 0x0200 00059 }; 00060 00064 OBDepict(OBPainter *painter); 00068 ~OBDepict(); 00074 bool DrawMolecule(OBMol *mol); 00080 bool AddAtomLabels(AtomLabelType type); 00081 00082 void SetBondLength(double length); 00083 double GetBondLength() const; 00084 00085 void SetPenWidth(double length); 00086 double GetPenWidth() const; 00087 00088 void SetBondSpacing(double spacing); 00089 double GetBondSpacing() const; 00090 00091 void SetBondWidth(double width); 00092 double GetBondWidth() const; 00093 00094 //void SetDrawingTerminalCarbon(bool enabled); 00095 //bool GetDrawingTerminalCarbon() const; 00096 00097 void SetOption(unsigned opts); //extendable with binary compatibility 00098 unsigned GetOptions() const; 00099 void ClearOptions(); 00100 00101 void SetFontFamily(const std::string &family); 00102 const std::string& GetFontFamily() const; 00103 00104 void SetFontSize(int pointSize, bool subscript = false); 00105 int GetFontSize(bool subscript = false) const; 00106 00107 void SetAliasMode(bool b=true); 00108 00109 void SetBondColor(const std::string& scolor); 00110 00111 private: 00112 OBDepictPrivate * const d; 00113 }; 00114 00115 } 00116 00117 #endif 00118
