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rdkit/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp

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//
// Copyright (C) 2015 Greg Landrum
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
// derived from Dave Cosgrove's MolDraw2D
//
#include "MolDraw2DSVG.h"
#include <GraphMol/MolDraw2D/MolDraw2DDetails.h>
#include <sstream>
namespace RDKit {
namespace {
std::string DrawColourToSVG(const DrawColour &col){
const char *convert="0123456789ABCDEF";
std::string res(7,' ');
res[0]='#';
unsigned int v;
unsigned int i=1;
v=int(255 * col.get<0>());
res[i++] = convert[v/16];
res[i++] = convert[v%16];
v=int(255 * col.get<1>());
res[i++] = convert[v/16];
res[i++] = convert[v%16];
v=int(255 * col.get<2>());
res[i++] = convert[v/16];
res[i++] = convert[v%16];
return res;
}
}
void MolDraw2DSVG::initDrawing() {
d_os<<"<?xml version='1.0' encoding='iso-8859-1'?>\n";
d_os << "<svg:svg version='1.1' baseProfile='full'\n \
xmlns:svg='http://www.w3.org/2000/svg'\n \
xmlns:rdkit='http://www.rdkit.org/xml'\n \
xmlns:xlink='http://www.w3.org/1999/xlink'\n \
xml:space='preserve'\n";
d_os<<"width='"<<width()<<"px' height='"<<height()<<"px' >\n";
//d_os<<"<svg:g transform='translate("<<width()*.05<<","<<height()*.05<<") scale(.85,.85)'>";
}
// ****************************************************************************
void MolDraw2DSVG::finishDrawing() {
//d_os << "</svg:g>";
d_os << "</svg:svg>\n";
}
// ****************************************************************************
void MolDraw2DSVG::setColour( const DrawColour &col ) {
MolDraw2D::setColour( col );
}
// ****************************************************************************
void MolDraw2DSVG::drawLine( const Point2D &cds1 ,
const Point2D &cds2 ) {
Point2D c1 = getDrawCoords( cds1 );
Point2D c2 = getDrawCoords( cds2 );
std::string col=DrawColourToSVG(colour());
unsigned int width=lineWidth();
std::string dashString="";
const DashPattern &dashes=dash();
if(dashes.size()){
std::stringstream dss;
dss<<";stroke-dasharray:";
std::copy(dashes.begin(),dashes.end()-1,std::ostream_iterator<unsigned int>(dss,","));
dss<<dashes.back();
dashString = dss.str();
}
d_os<<"<svg:path ";
d_os<< "d='M " << c1.x << "," << c1.y << " " << c2.x << "," << c2.y << "' ";
d_os<<"style='fill:none;fill-rule:evenodd;stroke:"<<col<<";stroke-width:"<<width<<"px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1"<<dashString<<"'";
d_os<<" />\n";
}
// ****************************************************************************
// draw the char, with the bottom left hand corner at cds
void MolDraw2DSVG::drawChar( char c , const Point2D &cds ) {
unsigned int fontSz=scale()*fontSize();
std::string col = DrawColourToSVG(colour());
d_os<<"<svg:text";
d_os<<" x='" << cds.x;
// doesn't seem like the inclusion of the fontSz should be necessary, but vertical text alignment seems impossible
// The 0.9 is an empirical factor to account for the descender on the font.
d_os<< "' y='" << cds.y + 0.9*fontSz <<"'";
d_os<<" style='font-size:"<<fontSz<<"px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;"<<"fill:"<<col<<"'";
d_os<<" >";
d_os<<c;
d_os<<"</svg:text>";
}
// ****************************************************************************
void MolDraw2DSVG::drawPolygon( const std::vector< Point2D > &cds ){
PRECONDITION(cds.size()>=3,"must have at least three points");
std::string col=DrawColourToSVG(colour());
unsigned int width=lineWidth();
std::string dashString="";
d_os<<"<svg:path ";
d_os<<"d='M";
Point2D c0 = getDrawCoords( cds[0] );
d_os << " " << c0.x << "," << c0.y;
for(unsigned int i=1;i<cds.size();++i){
Point2D ci = getDrawCoords( cds[i] );
d_os << " " << ci.x << "," << ci.y;
}
d_os << " " << c0.x << "," << c0.y;
d_os<<"' style='";
if(fillPolys())
d_os<<"fill:"<<col<<";fill-rule:evenodd";
else
d_os<<"fill:none;";
d_os<<"stroke:"<<col<<";stroke-width:"<<width<<"px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1"<<dashString<<"'";
d_os<<" />\n";
}
void MolDraw2DSVG::drawEllipse( const Point2D &cds1 ,
const Point2D &cds2 ) {
Point2D c1 = getDrawCoords( cds1 );
Point2D c2 = getDrawCoords( cds2 );
double w = c2.x - c1.x;
double h = c2.y - c1.y;
double cx=c1.x + w/2;
double cy=c1.y + h/2;
w = w>0 ? w : -1*w;
h = h>0 ? h : -1*h;
std::string col=DrawColourToSVG(colour());
unsigned int width=lineWidth();
std::string dashString="";
d_os<<"<svg:ellipse" <<" cx='"<<cx<<"'" <<" cy='"<<cy<<"'" <<" rx='"<<w/2<<"'" <<" ry='"<<h/2<<"'";
d_os<<" style='";
if(fillPolys())
d_os<<"fill:"<<col<<";fill-rule:evenodd";
else
d_os<<"fill:none;";
d_os<<"stroke:"<<col<<";stroke-width:"<<width<<"px;stroke-linecap:butt;stroke-linejoin:miter;stroke-opacity:1"<<dashString<<"'";
d_os<<" />\n";
}
// ****************************************************************************
void MolDraw2DSVG::clearDrawing() {
d_os << "<svg:rect";
d_os << " style='opacity:1.0;fill:#ffffff;stroke:none'";
d_os << " width='" << width() << "' height='" << height() << "'";
d_os << " x='0' y='0'";
d_os << "> </svg:rect>\n";
}
// ****************************************************************************
void MolDraw2DSVG::setFontSize( double new_size ) {
MolDraw2D::setFontSize( new_size );
double font_size_in_points = fontSize() * scale();
}
// ****************************************************************************
// using the current scale, work out the size of the label in molecule coordinates
void MolDraw2DSVG::getStringSize( const std::string &label , double &label_width ,
double &label_height ) const {
label_width = 0.0;
label_height = 0.0;
int draw_mode = 0; // 0 for normal, 1 for superscript, 2 for subscript
bool had_a_super = false;
for( int i = 0 , is = label.length() ; i < is ; ++i ) {
// setStringDrawMode moves i along to the end of any <sub> or <sup>
// markup
if( '<' == label[i] && setStringDrawMode( label , draw_mode , i ) ) {
continue;
}
label_height = fontSize();
double char_width = fontSize() * static_cast<double>(MolDraw2D_detail::char_widths[label[i]]) / MolDraw2D_detail::char_widths['M'];
if( 2 == draw_mode ) {
char_width *= 0.75;
} else if( 1 == draw_mode ) {
char_width *= 0.75;
had_a_super = true;
}
label_width += char_width;
}
// subscript keeps its bottom in line with the bottom of the bit chars,
// superscript goes above the original char top by a bit (empirical)
if( had_a_super ) {
label_height *= 1.1;
}
}
// ****************************************************************************
// draws the string centred on cds
void MolDraw2DSVG::drawString( const std::string &str ,
const Point2D &cds ) {
unsigned int fontSz=scale()*fontSize();
std::string col = DrawColourToSVG(colour());
double string_width , string_height;
getStringSize( str , string_width , string_height );
double draw_x = cds.x - string_width / 2.0;
double draw_y = cds.y - string_height / 2.0;
Point2D draw_coords = getDrawCoords(Point2D(draw_x,draw_y));
d_os<<"<svg:text";
d_os<<" x='" << draw_coords.x;
// doesn't seem like the inclusion of the fontSz should be necessary, but vertical text alignment seems impossible
// The 0.9 is an empirical factor to account for the descender on the font.
d_os<< "' y='" << draw_coords.y + 0.9*fontSz <<"'";
d_os<<" style='font-size:"<<fontSz<<"px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;"<<"fill:"<<col<<"'";
d_os<<" >";
int draw_mode = 0; // 0 for normal, 1 for superscript, 2 for subscript
std::string span;
bool first_span=true;
for( int i = 0 , is = str.length() ; i < is ; ++i ) {
// setStringDrawMode moves i along to the end of any <sub> or <sup>
// markup
if( '<' == str[i] && setStringDrawMode( str , draw_mode , i ) ) {
if(!first_span){
d_os<<span<<"</svg:tspan>";
span="";
}
first_span=false;
d_os<<"<svg:tspan";
switch(draw_mode){
case 1:
d_os<<" style='baseline-shift:super;font-size:"<<fontSz*0.75<<"px;"<< "'"; break;
case 2:
d_os<<" style='baseline-shift:sub;font-size:"<<fontSz*0.75<<"px;"<< "'"; break;
default:
break;
}
d_os<<">";
continue;
}
if(first_span){
first_span=false;
d_os<<"<svg:tspan>";
span="";
}
span += str[i];
}
d_os<<span<<"</svg:tspan>";
d_os<<"</svg:text>\n";
}
void MolDraw2DSVG::tagAtoms( const ROMol &mol ){
PRECONDITION(d_os,"no output stream");
ROMol::VERTEX_ITER this_at , end_at;
boost::tie( this_at , end_at ) = mol.getVertices();
while( this_at != end_at ) {
int this_idx = mol[*this_at]->getIdx();
++this_at;
Point2D pos=getDrawCoords(atomCoords()[this_idx]);
std::string lbl=atomSyms()[this_idx].first;
d_os << "<rdkit:atom"<<" idx=\""<<this_idx+1<<"\"";
if(lbl!=""){
d_os<< " label=\"" << lbl<< "\"";
}
d_os << " x=\""<<pos.x<<"\"" <<" y=\""<<pos.y<<"\""<< " />"<<std::endl;
}
}
} // EO namespace RDKit
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