/usr/include/rdkit/GraphMol/MolDrawing/DrawingToSVG.h

// $Id$
/* 
*
*  Copyright (c) 2011, Novartis Institutes for BioMedical Research Inc.
*  All rights reserved.
* 
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are
* met: 
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*     * 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 
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*       with the distribution.
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*       nor the names of its contributors may be used to endorse or promote 
*       products derived from this software without specific prior written permission.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
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#ifndef _RD_DRAWING_TO_SVG_H_
#define _RD_DRAWING_TO_SVG_H_

#include <GraphMol/MolDrawing/MolDrawing.h>

namespace RDKit {
  namespace Drawing {
    namespace {
      std::string getColor(int atNum){
        std::string res="#000000";
        switch(atNum){
        case 7: res="#0000FF";break;
        case 8: res="#FF0000";break;
        case 9: res="#33CCCC";break;
        case 15: res="#FF7F00";break;
        case 16: res="#CCCC00";break;
        case 17: res="#00CC00";break;
        case 35: res="#7F4C19";break;
        case 0: res="#7F7F7F";break;
        default: res="#000000";
        }
        return res;
      }
      void drawLine(std::vector<int>::const_iterator &pos,std::ostringstream &sstr,
                    unsigned int lineWidthMult){
        int width=*pos++;
        width*=lineWidthMult;

        int dashed=*pos++;
        std::string dashString="";
        switch(dashed){
        case 0:
          break;
        case 2:
          dashString=";stroke-dasharray:2, 6";
          break;
        default:
          dashString=";stroke-dasharray:6, 6";
        }
        int an1=*pos++;
        int an2=*pos++;
        std::string c1=getColor(an1);
        std::string c2=getColor(an2);
        if(c1==c2){
          sstr<<"<svg:path ";
          sstr<<"d='M "<<*pos<<","<<*(pos+1)<<" "<<*(pos+2)<<","<<*(pos+3)<<"' ";
          pos+=4;
          sstr<<"style='fill:none;fill-rule:evenodd;stroke:"<<c1<<";stroke-width:"<<width<<"px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1"<<dashString<<"'";
          sstr<<" />\n";
        } else {
          int xp1 = *pos++;
          int yp1 = *pos++;
          int xp2 = *pos++;
          int yp2 = *pos++;
          int mx = xp1+(xp2-xp1)/2;
          int my = yp1+(yp2-yp1)/2;
          sstr<<"<svg:path ";
          sstr<<"d='M "<<xp1<<","<<yp1<<" "<<mx<<","<<my<<"' ";
          sstr<<"style='fill:none;fill-rule:evenodd;stroke:"<<c1<<";stroke-width:"<<width<<"px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1"<<dashString<<"'";
          sstr<<" />\n";
          sstr<<"<svg:path ";
          sstr<<"d='M "<<mx<<","<<my<<" "<<xp2<<","<<yp2<<"' ";
          sstr<<"style='fill:none;fill-rule:evenodd;stroke:"<<c2<<";stroke-width:"<<width<<"px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1"<<dashString<<"'";
          sstr<<" />\n";
        }
      }

      void drawAtom(std::vector<int>::const_iterator &pos,std::ostringstream &sstr,unsigned int fontSz,
                    bool includeAtomCircles=false){
        int atNum=*pos++;
        int xp=*pos++;
        int yp=*pos++;
        int slen=*pos++;
        std::string label="";
        for(unsigned int i=0;i<slen;++i){
          label+=(char)*pos++;
        }
        int orient=*pos++;
        if(label.length()){
          int width=fontSz*label.length();
          int height=fontSz;
          sstr<<"<svg:g transform='translate("<<xp<<","<<yp<<")'><svg:rect ";
          sstr<<"style='opacity:1.0;fill:#FFFFFF;stroke:none'";
          sstr<<" width='"<<width<<"' height='"<<height<<"'";
          sstr<<" x='-"<<width/2<<"' y='-"<<height/2<<"'";
          sstr<<"> </svg:rect>\n";
          sstr<<"<svg:text";
          sstr<<" style='font-size:"<<fontSz<<"px;font-style:normal;font-weight:normal;line-height:125%;letter-spacing:0px;word-spacing:0px;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:middle"<<";fill:"<<getColor(atNum)<<"'";
          sstr<<" y='"<<.75*fontSz/2<<"'>";
          sstr<<"<svg:tspan>";
          sstr<<label<<"</svg:tspan>";
          sstr<<"</svg:text>";
          sstr<<"</svg:g>\n";
        }
        if(includeAtomCircles){
#if 0          
          sstr<<"<svg:circle cx='"<<xp<<"' cy='"<<yp<<"' r='5' />\n"; 
#else
          sstr<<"<svg:circle cx='"<<xp<<"' cy='"<<yp<<"' r='0' style='fill:none;stroke:none' />\n";
#endif
        }
      }
    } // end of anonymous namespace 

    std::string DrawingToSVG(const std::vector<int> &drawing,
                             unsigned int lineWidthMult=2,unsigned int fontSize=50,
                             bool includeAtomCircles=false){
      std::vector<int>::const_iterator pos=drawing.begin()+2;
      if(*pos!= RDKit::Drawing::BOUNDS){
        std::cerr<<"no bounds token found"<<std::endl;
        return "";
      }
      pos+=3;
      unsigned int width,height;
      width = *pos++;
      height = *pos++;
      std::ostringstream sstr;
      sstr<<"<?xml version='1.0' encoding='iso-8859-1'?>\n";
      sstr << "<svg:svg version='1.1' baseProfile='full'\n      \
        xmlns:svg='http://www.w3.org/2000/svg'\n                \
        xmlns:xlink='http://www.w3.org/1999/xlink'\n          \
        xml:space='preserve'\n";
      sstr<<"width='"<<width<<"px' height='"<<height<<"px' >\n";
      sstr<<"<svg:rect ";
      sstr<<"style='opacity:1.0;fill:#FFFFFF;stroke:none'";
      sstr<<" width='"<<width<<"' height='"<<height<<"'";
      sstr<<" x='0' y='0'";
      sstr<<"> </svg:rect>\n";
      sstr<<"<svg:g transform='translate("<<width*.05<<","<<height*.05<<") scale(.85,.85)'>";
      while(pos!=drawing.end()){
        int token=*pos++;
        switch(token){
        case  RDKit::Drawing::LINE:
          drawLine(pos,sstr,lineWidthMult);
          break;
        case  RDKit::Drawing::ATOM:
          drawAtom(pos,sstr,fontSize,includeAtomCircles);
          break;
        default:
          std::cerr<<"unrecognized token: "<<token<<std::endl;
        }
      }
      sstr<<"</svg:g></svg:svg>";
      return sstr.str();
    }
  } // end of namespace Drawing
} // end of namespace RDKit
#endif
librdkit-dev 201503-3 / usr / include / rdkit / GraphMol / MolDrawing / DrawingToSVG.h
