DrawingToSVG.h
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// $Id$
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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
RDKit::Drawing::DrawingToSVG
std::string DrawingToSVG(const std::vector< int > &drawing, unsigned int lineWidthMult=2, unsigned int fontSize=50, bool includeAtomCircles=false)
Definition: DrawingToSVG.h:138
MolDrawing.h
RDKit::Drawing::LINE
Definition: MolDrawing.h:41
RDKit::Drawing::BOUNDS
Definition: MolDrawing.h:44
RDKit
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
RDKit::Drawing::ATOM
Definition: MolDrawing.h:43
RDKit::Drawing::detail::drawLine
void drawLine(std::vector< ElementType > &res, int atnum1, int atnum2, int lineWidth, int dashed, double x1, double y1, double x2, double y2)
Definition: MolDrawing.h:57