public void Main()
{
Depiction depiction = null;
#region EnsureSuffix
depiction.WriteTo(Depiction.SvgFormatKey, "~/chemical"); // create a file "~/chemical.svg"
#endregion
}
/// <summary>
/// Render molecule into bitmap of specified size.
/// </summary>
/// <param name="bitmapWidth"></param>
/// <param name="bitmapHeight"></param>
/// <param name="dp"></param>
/// <returns></returns>
public Bitmap GetMoleculeBitmap(
int bitmapWidth,
int bitmapHeight,
DisplayPreferences dp = null)
{
byte[] ba;
FileStream fs;
float top, bottom, left, right, height, width, strBottom, hCenter, drop, stdBndLen, scale, fontSize, bondThickness;
int txtLen;
Bitmap bm;
UpdateNativeMolecule();
if (NativeMol == null || NativeMol.Atoms.Count == 0)
{
return(null);
}
//NativeMol.setProperty(CDKConstants.TITLE, "caffeine"); // title already set from input!
DepictionGenerator dptgen = new DepictionGenerator();
dptgen.Size = new System.Windows.Size(bitmapWidth, bitmapHeight);
Depiction d = dptgen.Depict(NativeMol);
dptgen.Size = new System.Windows.Size(bitmapWidth, bitmapHeight);
dptgen.FillToFit = true;
//string svg = d.ToSvgString();
//bm = SvgUtil.GetBitmapFromSvgXml(svg, bitmapWidth);
//System.Windows.Media.Imaging.RenderTargetBitmap rtBm = d.ToBitmap();
string path = TempFile.GetTempFileName(ClientDirs.TempDir, "jpg", true);
d.WriteTo("jpg", path);
bm = new Bitmap(path);
return(bm);
}
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, ""));
}
}