private void LoadingProcess()
{
progress = new LoadingProgress(3);
progress.OnUpdate += new LoadingProgress.ProgressUpdateHandler(progress_OnUpdate);
progress.OnProcessUpdate += new LoadingProgress.ProcessUpdateHandler(progress_OnProcessUpdate);
loadedChemFile = MoleculeLoader.LoadFromFile(filename, progress);
// close dlg
this.Invoke(closeDelegate);
}
private void LoadingProcess()
{
progress = new LoadingProgress(3);
progress.OnUpdate += new LoadingProgress.ProgressUpdateHandler(progress_OnUpdate);
progress.OnProcessUpdate += new LoadingProgress.ProcessUpdateHandler(progress_OnProcessUpdate);
loadedChemFile = MoleculeLoader.LoadFromFile(filename, progress);
// close dlg
this.Invoke(closeDelegate);
}
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();
}
private void OpenMolecule(string filename)
{
//try
//{
LoadingProgressDlg dlg = new LoadingProgressDlg(filename);
dlg.ShowDialog();
IChemFileWrapper chemFile = dlg.LoadedChemFile; //MoleculeLoader.LoadFromFile(filename);
Chem3DControl control = new Chem3DControl();
ViewTab tab = new ViewTab(control);
tab.Text = chemFile.filename;
tab.MdiParent = this;
tab.Show();
HashTableSettings settings = new HashTableSettings();
settings["Base.Path"] = Path.GetFullPath(Application.StartupPath + ConfigurationSettings.AppSettings[(devSettings ? "dev@" : "") + "Base.Path.Relative"]); // /*+ "\\");*/ + "..\\..\\..\\..\\..\\..\\");
control.Init(settings, cdi);
control.LoadFile(chemFile);
control.OnEntitySelected += control_OnEntitySelected;
control.OnRenderUpdate = onRenderUpdate;
OnTabChanged();
//}
//catch (UserLevelException ule)
//{
// MessageBox.Show(this, ule.Message, "Problem Loading File", MessageBoxButtons.OK, MessageBoxIcon.Exclamation);
// return;
//}
//catch { MessageBox.Show(this, "Error loading", "Problem Loading File", MessageBoxButtons.OK, MessageBoxIcon.Exclamation); return; }
recentFiles.AddFile(filename, RecentFiles.RecentFileType.Molecule);
RebuildRecentFilesMenu();
// load outline
LoadOutline((IChemFile)control.GetRootNode());
}
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();
}
