private void renderMolecule()
{
IndigoRenderer renderer = new IndigoRenderer(_indigo);
_indigo.setOption("render-output-format", "emf");
_indigo.setOption("render-margins", 10, 10);
if (showBonds == true)
{
_indigo.setOption("render-bond-ids-visible", true);
}
else
{
_indigo.setOption("render-bond-ids-visible", false);
}
if (showAtoms == true)
{
_indigo.setOption("render-atom-ids-visible", true);
}
else
{
_indigo.setOption("render-atom-ids-visible", false);
}
_indigo.setOption("render-label-mode", "hetero");
_indigo.setOption("render-stereo-style", "none");
_indigo.setOption("render-bond-length", 45);
_chemStructures[0].layout();
MemoryStream ms = new MemoryStream(renderer.renderToBuffer(_chemStructures[0]));
pictureBox1.Image = Image.FromStream(ms);
ms.Close();
}
/// <summary>
/// Returns a depiction of the chemical structure as a bitmap.
/// </summary>
/// <param name="width">The desired width in pixels.</param>
/// <param name="height">The desired height in pixels.</param>
/// <returns>The bitmap depicting the chemical structure.</returns>
public Bitmap ToBitmap(int width, int height)
{
Bitmap bitmap = null;
try
{
using (Indigo indigo = new Indigo())
{
IndigoRenderer indigoRenderer = new IndigoRenderer(indigo);
indigo.setOption("render-coloring", true);
indigo.setOption("render-image-size", width, height);
indigo.setOption("render-label-mode", "hetero");
indigo.setOption("render-margins", 10, 10);
indigo.setOption("render-output-format", "png");
indigo.setOption("render-relative-thickness", 1.6f);
IndigoObject structure = CreateIndigoStructure(indigo);
structure.dearomatize();
structure.layout();
bitmap = indigoRenderer.renderToBitmap(structure);
structure.Dispose();
}
}
catch
{
bitmap = Properties.Resources.Error;
}
return(bitmap);
}
public IndigoBase()
{
renderer = new IndigoRenderer(indigo);
indigo.setOption("ignore-stereochemistry-errors", true);
indigo.setOption("render-output-format", "png");
indigo.setOption("render-margins", 20, 20);
//indigo.setOption("render-image-max-width", 500);
//indigo.setOption("render-image-max-height", 250);
indigo.setOption("render-coloring", true);
indigo.setOption("render-stereo-style", "none");
}
private IndigoRenderer GetRenderer(Indigo indigo)
{
var renderer = new IndigoRenderer(indigo);
indigo.setOption("render-output-format", "png");
indigo.setOption("render-stereo-style", "ext");
indigo.setOption("render-margins", 5, 5);
indigo.setOption("render-coloring", true);
indigo.setOption("render-relative-thickness", "1.5");
return(renderer);
}
private IndigoRenderer GetRenderer(Indigo indigo, string format = "png", int width = -1, int height = -1)
{
var renderer = new IndigoRenderer(indigo);
indigo.setOption("render-output-format", format);
indigo.setOption("render-stereo-style", "ext");
indigo.setOption("render-margins", 5, 5);
indigo.setOption("render-coloring", true);
indigo.setOption("render-relative-thickness", "1.5");
indigo.setOption("render-image-size", width, height);
return(renderer);
}
private void showSelections()
{
IndigoRenderer renderer = new IndigoRenderer(_indigo);
_indigo.setOption("render-output-format", "emf");
//_indigo.setOption("render-margins", 10, 10);
_indigo.setOption("render-bond-ids-visible", true);
_indigo.setOption("render-label-mode", "hetero");
_indigo.setOption("render-stereo-style", "none");
//_indigo.setOption("render-bond-length", 45);
_indigo.setOption("render-image-size", 200, 250);
List <Panel> scroll = new List <Panel>();
List <PictureBox> renders = new List <PictureBox>();
List <Button> zoomInButton = new List <Button>();
List <Button> zoomOutButton = new List <Button>();
this.tableLayoutPanel1.RowCount = 0;
this.tableLayoutPanel1.RowStyles.Clear();
this.tableLayoutPanel1.AutoScroll = true;
this.tableLayoutPanel1.AutoSize = true;
foreach (IndigoObject item in _chemStructures)
{
item.layout();
MemoryStream ms = new MemoryStream(renderer.renderToBuffer(item));
renders.Add(new PictureBox());
scroll.Add(new Panel());
scroll.Last().Size = new System.Drawing.Size(200, 250);
renders.Last().SizeMode = PictureBoxSizeMode.StretchImage;
renders.Last().Size = new System.Drawing.Size(200, 250);
renders.Last().Image = Image.FromStream(ms);
ms.Close();
int row = tableLayoutPanel1.RowCount;
tableLayoutPanel1.Controls.Add(scroll.Last(), 0 /* Column Index */, row /* Row index */);
scroll.Last().Controls.Add(renders.Last());
RadioButton selection = new RadioButton();
selection.CheckedChanged += new EventHandler(selection_Click);
selection.Name = (tableLayoutPanel1.RowCount).ToString();
this.tableLayoutPanel1.Controls.Add(selection, 1 /* Column Index */, row /* Row index */);
this.tableLayoutPanel1.RowCount++;
}
}
private void renderMolecule2(IndigoObject input, string mw)
{
IndigoRenderer renderer = new IndigoRenderer(_indigo);
_indigo.setOption("render-output-format", "emf");
_indigo.setOption("render-margins", 10, 10);
if (showBonds == true)
{
_indigo.setOption("render-bond-ids-visible", true);
}
else
{
_indigo.setOption("render-bond-ids-visible", false);
}
if (showAtoms == true)
{
_indigo.setOption("render-atom-ids-visible", true);
}
else
{
_indigo.setOption("render-atom-ids-visible", false);
}
_indigo.setOption("render-atom-ids-visible", false);
_indigo.setOption("render-atom-ids-visible", true);
_indigo.setOption("render-label-mode", "hetero");
_indigo.setOption("render-stereo-style", "none");
_indigo.setOption("render-bond-length", 45);
input.layout();
Form1 f = new Form1();
MemoryStream ms = new MemoryStream(renderer.renderToBuffer(input));
f.pictureBox1.Image = Image.FromStream(ms);
f.label1.Text = mw;
f.Show();
ms.Close();
}
public IndigoChemistryDepiction(Indigo _indigo)
{
indigo = _indigo;
renderer = new IndigoRenderer(indigo);
}
