public void LoadFile(string file)
{
MoleculeLoadingResults results = null;
try
{
renderSource = new ChemRenderingSource3D(MoleculeLoader.LoadFromFile(file, settings, MoleculeLoader.FileUsage.ThreeD, null, out results));
if (renderContext != null)
{
renderContext.ChemRenderSource = renderSource;
renderContext.OnResize(Width, Height);
renderContext.Render(null);
}
}
catch (UserLevelException ule)
{
// post to user
MessageBox.Show(ule.Message, "Loading File", MessageBoxButtons.OK, MessageBoxIcon.Error);
}
UleDlg dlg = new UleDlg(results, null);
dlg.ShowDialog();
dlg.Dispose();
}
public void LoadFile(IChemFileWrapper file)
{
renderSource = new ChemRenderingSource3D(file.chemFile);
if (renderContext != null)
{
renderContext.ChemRenderSource = renderSource;
renderContext.OnResize(Width, Height);
//renderContext.Render(null);
}
// load structures if available
//if (file.results.FileFormat is PDBFormat)
//{
// object frame = ChemModel.CreateJMOLFrameFromCDKFile(file.chemFile, renderContext.Device);
// // need to render 1 struct/shape at a time
// NuSceneBuffer3D sceneBuffer = ChemModel.RenderShapes(frame, ChemModel.ShapesType.Ribbons);
// renderSource.sceneBuffer = sceneBuffer;
// renderContext.ribbons = new ChemEntityRibbon(sceneBuffer);
// renderContext.ribbons.Init(renderContext.Device, outputDesc.GeneralStructuresShadingDesc);
// //sceneBuffer = ChemModel.RenderShapes(frame, ChemModel.ShapesType.Cartoon);
// //renderContext.cartoons = new ChemEntityCartoon(sceneBuffer);
// //renderContext.cartoons.Init(renderContext.Device, outputDesc.GeneralStructuresShadingDesc);
//}
/*SmilesGenerator gen = new SmilesGenerator(file.chemFile.Builder);
moleculeSMILESRawString = gen.createSMILES(file.chemFile.ChemSequences[0].ChemModels[0].SetOfMolecules.Molecules[0]);
*/
renderFrame = true;
renderingThread.Start();
UleDlg dlg = new UleDlg(file.results, file.progress);
dlg.ShowDialog();
dlg.Dispose();
}
public void CloseFile()
{
if (renderSource != null)
{
renderSource = null;
if (renderContext != null)
{
renderContext.ChemRenderSource = null;
renderContext.Render(null);
}
}
}
