public static void PerceiveDativeBonds(IReaction reaction)
{
foreach (var mol in ReactionManipulator.GetAllMolecules(reaction))
{
AtomContainerManipulator.PerceiveDativeBonds(mol);
}
}
public void Generate(string text, string filename)
{
Depiction depict = null;
if (IsReactionSmilees(text))
{
var rxn = parser.ParseReactionSmiles(text);
ReactionManipulator.PerceiveDativeBonds(rxn);
ReactionManipulator.PerceiveRadicals(rxn);
depict = PictureGenerator.Depict(rxn);
}
else
{
var mol = NCDKExcel.Utility.Parse(text);
AtomContainerManipulator.PerceiveDativeBonds(mol);
AtomContainerManipulator.PerceiveRadicals(mol);
depict = PictureGenerator.Depict(mol);
}
depict.WriteTo(filename);
if (!filename.EndsWith(".svg"))
{
return;
}
string svg;
using (var r = new StreamReader(filename))
{
svg = r.ReadToEnd();
}
using (var r = new StreamWriter(filename))
{
r.Write(_rect_transparent.Replace(svg, ""));
}
}
