depict.h

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/**********************************************************************
depict.h - 2D Depiction of molecules using OBPainter.

Copyright (C) 2009-2010 by Tim Vandermeersch
Some portions Copyright (C) 2009 by Chris Morley

This file is part of the Open Babel project.
For more information, see <http://openbabel.org/>

This program 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 version 2 of the License.

This program 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.
***********************************************************************/
#ifndef OB_DEPICT_H
#define OB_DEPICT_H

#include <openbabel/babelconfig.h>
#include <openbabel/math/vector3.h>

namespace OpenBabel
{

 class OBMol;
 class OBPainter;
 class OBDepictPrivate;

 #ifndef OBDEPICT
 #define OBDEPICT
 #endif

 class OBDEPICT OBDepict
 {
 public:
 enum AtomLabelType {
 AtomId = 1,
 AtomIndex,
 AtomSymmetryClass,
 AtomValence,
 AtomTetrahedralStereo
 };

 enum OptionType{
 bwAtoms = 0x0001,
 internalColor = 0x0002,
 noMargin = 0x0004,
 drawTermC = 0x0010,
 drawAllC = 0x0020,
 noWedgeHashGen = 0x0100,
 asymmetricDoubleBond = 0x0200,
 allExplicit = 0x0400
 };

 OBDepict(OBPainter *painter);
 OBDepict(OBPainter *painter, bool withBall, bool symbolOnBall=false);
 ~OBDepict();
 bool DrawMolecule(OBMol *mol);
 bool AddAtomLabels(AtomLabelType type);

 void SetBondLength(double length);
 double GetBondLength() const;

 void SetPenWidth(double length);
 double GetPenWidth() const;

 void SetBondSpacing(double spacing);
 double GetBondSpacing() const;

 void SetBondWidth(double width);
 double GetBondWidth() const;

 //void SetDrawingTerminalCarbon(bool enabled);
 //bool GetDrawingTerminalCarbon() const;

 void SetOption(unsigned opts); //extendable with binary compatibility
 unsigned GetOptions() const;
 void ClearOptions();

 void SetFontFamily(const std::string &family);
 const std::string& GetFontFamily() const;

 void SetFontSize(int pointSize, bool subscript = false);
 int GetFontSize(bool subscript = false) const;

 void SetAliasMode(bool b=true);

 void SetBondColor(const std::string& scolor);

 private:
 OBDepictPrivate * d;
 };

}

#endif