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//
// Generating depictions - example13.cpp
#include <fstream>
#include <GraphMol/GraphMol.h>
#include <GraphMol/Depictor/RDDepictor.h>
#include <GraphMol/FileParsers/FileParsers.h>
#include <GraphMol/MolDraw2D/MolDraw2DSVG.h>
#ifdef RDK_BUILD_CAIRO_SUPPORT
#include <GraphMol/MolDraw2D/MolDraw2DCairo.h>
#endif
int main( int argc , char **argv ) {
std::string file_root = getenv( "RDBASE" );
file_root += "/Docs/Book";
std::string sdf_file = file_root + "/data/cdk2.sdf";
RDKit::ROMOL_SPTR mol1( RDKit::MolFileToMol( sdf_file ) );
RDDepict::compute2DCoords( *mol1 );
std::string svg_file = file_root + "/data/cdk_mol1.svg";
std::ofstream outs( svg_file.c_str() );
RDKit::MolDraw2DSVG svg_drawer(300, 300, outs);
svg_drawer.drawMolecule( *mol1 );
svg_drawer.finishDrawing();
outs.close();
#ifdef RDK_BUILD_CAIRO_SUPPORT
RDKit::MolDraw2DCairo cairo_drawer(300, 300);
cairo_drawer.drawMolecule(*mol1);
cairo_drawer.finishDrawing();
std::string png_file = file_root + "/data/cdk_mol1.png";
cairo_drawer.writeDrawingText( png_file );
#endif
}
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