public void DepictAsSvg()
{
var dg = new DepictionGenerator();
foreach (var e in name2Smiles)
{
var ac = CDK.SmilesParser.ParseSmiles(e.Value);
var svg = dg.Depict(ac).ToSvgString();
//using (var w = new System.IO.StreamWriter(System.IO.Path.Combine("C:\\Users\\Public\\Documents", $"{e.Key}.svg")))
//{
// w.Write(svg);
//}
}
}
public void Main()
{
{
IChemObjectSet <IAtomContainer> mols = null;
#region 1
DepictionGenerator dg = new DepictionGenerator()
{
Size = new Size(512, 512),
AtomColorer = new Renderers.Colors.CDK2DAtomColors(),
};
foreach (IAtomContainer mol in mols)
{
dg.Depict(mol).WriteTo("mol.png");
}
#endregion
}
{
IAtomContainer mol = null;
#region 2
new DepictionGenerator().Depict(mol).WriteTo("mol.png");
#endregion
}
{
IAtomContainer mol = null;
#region 3
Depiction depiction = new DepictionGenerator().Depict(mol);
// quick use, format determined by name by path
depiction.WriteTo("mol.png");
depiction.WriteTo("mol.svg");
depiction.WriteTo("mol.pdf");
depiction.WriteTo("mol.jpg");
// manually specify the format
depiction.WriteTo(Depiction.SvgFormatKey, "~/mol");
// convert to a Java buffered image
RenderTargetBitmap img = depiction.ToBitmap();
// get the SVG XML string
string svg = depiction.ToSvgString();
#endregion
}
}
