public static ROMol Parse(string smarts)
{
if (smarts == null)
{
throw new ArgumentNullException(nameof(smarts));
}
var pattern = SmartsCache.GetOrAdd(smarts, a_smarts =>
{
ROMol query = Chem.MolFromSmarts(a_smarts);
if (query == null)
{
return(nullSmarts);
}
query.setProp("source", "SMARTS");
return(query);
});
if (object.ReferenceEquals(pattern, nullSmarts))
{
return(null);
}
return(pattern);
}
public TempFile GenerateTemporary(string text, double width, double height)
{
var min = Math.Min(width, height);
if (min < Config.MinimumEdgePixels)
{
double scale = Config.MinimumEdgePixels / min;
width *= scale;
height *= scale;
}
RWMol mol = null;
mol = Chem.MolFromSmiles(text);
if (mol == null)
{
mol = Chem.MolFromSmarts(text);
}
if (mol == null)
{
return(null);
}
var tempFile = new TempFile("." + Config.ImageType);
var filename = tempFile.FileName;
MolToFile(mol, filename, new Tuple <int, int>((int)width, (int)height));
if (filename.EndsWith(".svg"))
{
string svg;
using (var r = new StreamReader(filename))
{
svg = r.ReadToEnd();
}
if (ImageBGIsTransparent())
{
using (var r = new StreamWriter(filename))
{
r.Write(re_rect_tag.Replace(svg, ""));
}
}
}
return(tempFile);
}