private void ReadPDB()
{
// Path to vtk data must be set as an environment variable
// VTK_DATA_ROOT = "C:\VTK\vtkdata-5.8.0"
vtkTesting test = vtkTesting.New();
string root = test.GetDataRoot();
string filePath = System.IO.Path.Combine(root, @"Data\caffeine.pdb");
vtkPDBReader pdb = vtkPDBReader.New();
pdb.SetFileName(filePath);
pdb.SetHBScale(1.0);
pdb.SetBScale(1.0);
pdb.Update();
Debug.WriteLine("# of atoms is: " + pdb.GetNumberOfAtoms());
// if molecule contains a lot of atoms, reduce the resolution of the sphere (represents an atom) for faster rendering
int resolution = (int)Math.Floor(Math.Sqrt(300000.0 / pdb.GetNumberOfAtoms())); // 300000.0 is an empriric value
if (resolution > 20)
{
resolution = 20;
}
else if (resolution < 4)
{
resolution = 4;
}
Debug.WriteLine("Resolution is: " + resolution);
vtkSphereSource sphere = vtkSphereSource.New();
sphere.SetCenter(0, 0, 0);
sphere.SetRadius(1);
sphere.SetThetaResolution(resolution);
sphere.SetPhiResolution(resolution);
vtkGlyph3D glyph = vtkGlyph3D.New();
glyph.SetInputConnection(pdb.GetOutputPort());
glyph.SetOrient(1);
glyph.SetColorMode(1);
// glyph.ScalingOn();
glyph.SetScaleMode(2);
glyph.SetScaleFactor(.25);
glyph.SetSourceConnection(sphere.GetOutputPort());
vtkPolyDataMapper atomMapper = vtkPolyDataMapper.New();
atomMapper.SetInputConnection(glyph.GetOutputPort());
atomMapper.UseLookupTableScalarRangeOff();
atomMapper.ScalarVisibilityOn();
atomMapper.SetScalarModeToDefault();
vtkLODActor atom = vtkLODActor.New();
atom.SetMapper(atomMapper);
atom.GetProperty().SetRepresentationToSurface();
atom.GetProperty().SetInterpolationToGouraud();
atom.GetProperty().SetAmbient(0.15);
atom.GetProperty().SetDiffuse(0.85);
atom.GetProperty().SetSpecular(0.1);
atom.GetProperty().SetSpecularPower(30);
atom.GetProperty().SetSpecularColor(1, 1, 1);
atom.SetNumberOfCloudPoints(30000);
vtkTubeFilter tube = vtkTubeFilter.New();
tube.SetInputConnection(pdb.GetOutputPort());
tube.SetNumberOfSides(resolution);
tube.CappingOff();
tube.SetRadius(0.2);
// turn off variation of tube radius with scalar values
tube.SetVaryRadius(0);
tube.SetRadiusFactor(10);
vtkPolyDataMapper bondMapper = vtkPolyDataMapper.New();
bondMapper.SetInputConnection(tube.GetOutputPort());
bondMapper.UseLookupTableScalarRangeOff();
bondMapper.ScalarVisibilityOff();
bondMapper.SetScalarModeToDefault();
vtkLODActor bond = vtkLODActor.New();
bond.SetMapper(bondMapper);
bond.GetProperty().SetRepresentationToSurface();
bond.GetProperty().SetInterpolationToGouraud();
bond.GetProperty().SetAmbient(0.15);
bond.GetProperty().SetDiffuse(0.85);
bond.GetProperty().SetSpecular(0.1);
bond.GetProperty().SetSpecularPower(30);
bond.GetProperty().SetSpecularColor(1, 1, 1);
bond.GetProperty().SetDiffuseColor(1.0000, 0.8941, 0.70981);
// get a reference to the renderwindow of our renderWindowControl1
vtkRenderWindow renderWindow = renderWindowControl1.RenderWindow;
// renderer
vtkRenderer renderer = renderWindow.GetRenderers().GetFirstRenderer();
// set background color
renderer.SetBackground(0.2, 0.3, 0.4);
// add our actor to the renderer
renderer.AddActor(atom);
renderer.AddActor(bond);
}
/// <summary>
/// The main entry method called by the CSharp driver
/// </summary>
/// <param name="argv"></param>
public static void AVgaussian(String [] argv)
{
//Prefix Content is: ""
ren1 = vtkRenderer.New();
renWin = vtkRenderWindow.New();
renWin.AddRenderer((vtkRenderer)ren1);
renWin.SetSize((int)300,(int)300);
iren = new vtkRenderWindowInteractor();
iren.SetRenderWindow((vtkRenderWindow)renWin);
camera = new vtkCamera();
camera.ParallelProjectionOn();
camera.SetViewUp((double)0,(double)1,(double)0);
camera.SetFocalPoint((double)12,(double)10.5,(double)15);
camera.SetPosition((double)-70,(double)15,(double)34);
camera.ComputeViewPlaneNormal();
ren1.SetActiveCamera((vtkCamera)camera);
// Create the reader for the data[]
//vtkStructuredPointsReader reader[]
reader = new vtkGaussianCubeReader();
reader.SetFileName((string)"" + (VTK_DATA_ROOT.ToString()) + "/Data/m4_TotalDensity.cube");
reader.SetHBScale((double)1.1);
reader.SetBScale((double)10);
reader.Update();
range = reader.GetGridOutput().GetPointData().GetScalars().GetRange();
min = (double)(lindex(range,0));
max = (double)(lindex(range,1));
readerSS = new vtkImageShiftScale();
readerSS.SetInput((vtkDataObject)reader.GetGridOutput());
readerSS.SetShift((double)min*-1);
readerSS.SetScale((double)255/(max-min));
readerSS.SetOutputScalarTypeToUnsignedChar();
bounds = new vtkOutlineFilter();
bounds.SetInput((vtkDataObject)reader.GetGridOutput());
boundsMapper = vtkPolyDataMapper.New();
boundsMapper.SetInputConnection((vtkAlgorithmOutput)bounds.GetOutputPort());
boundsActor = new vtkActor();
boundsActor.SetMapper((vtkMapper)boundsMapper);
boundsActor.GetProperty().SetColor((double)0,(double)0,(double)0);
contour = new vtkContourFilter();
contour.SetInput((vtkDataObject)reader.GetGridOutput());
contour.GenerateValues((int)5,(double)0,(double).05);
contourMapper = vtkPolyDataMapper.New();
contourMapper.SetInputConnection((vtkAlgorithmOutput)contour.GetOutputPort());
contourMapper.SetScalarRange((double)0,(double).1);
((vtkLookupTable)contourMapper.GetLookupTable()).SetHueRange(0.32,0);
contourActor = new vtkActor();
contourActor.SetMapper((vtkMapper)contourMapper);
contourActor.GetProperty().SetOpacity((double).5);
// Create transfer mapping scalar value to opacity[]
opacityTransferFunction = new vtkPiecewiseFunction();
opacityTransferFunction.AddPoint((double)0,(double)0.01);
opacityTransferFunction.AddPoint((double)255,(double)0.35);
opacityTransferFunction.ClampingOn();
// Create transfer mapping scalar value to color[]
colorTransferFunction = new vtkColorTransferFunction();
colorTransferFunction.AddHSVPoint((double)0.0,(double)0.66,(double)1.0,(double)1.0);
colorTransferFunction.AddHSVPoint((double)50.0,(double)0.33,(double)1.0,(double)1.0);
colorTransferFunction.AddHSVPoint((double)100.0,(double)0.00,(double)1.0,(double)1.0);
// The property describes how the data will look[]
volumeProperty = new vtkVolumeProperty();
volumeProperty.SetColor((vtkColorTransferFunction)colorTransferFunction);
volumeProperty.SetScalarOpacity((vtkPiecewiseFunction)opacityTransferFunction);
volumeProperty.SetInterpolationTypeToLinear();
// The mapper / ray cast function know how to render the data[]
compositeFunction = new vtkVolumeRayCastCompositeFunction();
volumeMapper = new vtkVolumeRayCastMapper();
//vtkVolumeTextureMapper2D volumeMapper[]
volumeMapper.SetVolumeRayCastFunction((vtkVolumeRayCastFunction)compositeFunction);
volumeMapper.SetInputConnection((vtkAlgorithmOutput)readerSS.GetOutputPort());
// The volume holds the mapper and the property and[]
// can be used to position/orient the volume[]
volume = new vtkVolume();
volume.SetMapper((vtkAbstractVolumeMapper)volumeMapper);
volume.SetProperty((vtkVolumeProperty)volumeProperty);
ren1.AddVolume((vtkProp)volume);
//ren1 AddActor contourActor[]
ren1.AddActor((vtkProp)boundsActor);
//#####################################################################[]
Sphere = new vtkSphereSource();
Sphere.SetCenter((double)0,(double)0,(double)0);
Sphere.SetRadius((double)1);
Sphere.SetThetaResolution((int)16);
Sphere.SetStartTheta((double)0);
Sphere.SetEndTheta((double)360);
Sphere.SetPhiResolution((int)16);
Sphere.SetStartPhi((double)0);
Sphere.SetEndPhi((double)180);
Glyph = new vtkGlyph3D();
Glyph.SetInputConnection((vtkAlgorithmOutput)reader.GetOutputPort());
Glyph.SetOrient((int)1);
Glyph.SetColorMode((int)1);
//Glyph ScalingOn[]
Glyph.SetScaleMode((int)2);
Glyph.SetScaleFactor((double).6);
Glyph.SetSource((vtkPolyData)Sphere.GetOutput());
AtomsMapper = vtkPolyDataMapper.New();
AtomsMapper.SetInputConnection((vtkAlgorithmOutput)Glyph.GetOutputPort());
AtomsMapper.SetImmediateModeRendering((int)1);
AtomsMapper.UseLookupTableScalarRangeOff();
AtomsMapper.SetScalarVisibility((int)1);
AtomsMapper.SetScalarModeToDefault();
Atoms = new vtkActor();
Atoms.SetMapper((vtkMapper)AtomsMapper);
Atoms.GetProperty().SetRepresentationToSurface();
Atoms.GetProperty().SetInterpolationToGouraud();
Atoms.GetProperty().SetAmbient((double)0.15);
Atoms.GetProperty().SetDiffuse((double)0.85);
Atoms.GetProperty().SetSpecular((double)0.1);
Atoms.GetProperty().SetSpecularPower((double)100);
Atoms.GetProperty().SetSpecularColor((double)1,(double)1,(double)1);
Atoms.GetProperty().SetColor((double)1,(double)1,(double)1);
Tube = new vtkTubeFilter();
Tube.SetInputConnection((vtkAlgorithmOutput)reader.GetOutputPort());
Tube.SetNumberOfSides((int)16);
Tube.SetCapping((int)0);
Tube.SetRadius((double)0.2);
Tube.SetVaryRadius((int)0);
Tube.SetRadiusFactor((double)10);
BondsMapper = vtkPolyDataMapper.New();
BondsMapper.SetInputConnection((vtkAlgorithmOutput)Tube.GetOutputPort());
BondsMapper.SetImmediateModeRendering((int)1);
BondsMapper.UseLookupTableScalarRangeOff();
BondsMapper.SetScalarVisibility((int)1);
BondsMapper.SetScalarModeToDefault();
Bonds = new vtkActor();
Bonds.SetMapper((vtkMapper)BondsMapper);
Bonds.GetProperty().SetRepresentationToSurface();
Bonds.GetProperty().SetInterpolationToGouraud();
Bonds.GetProperty().SetAmbient((double)0.15);
Bonds.GetProperty().SetDiffuse((double)0.85);
Bonds.GetProperty().SetSpecular((double)0.1);
Bonds.GetProperty().SetSpecularPower((double)100);
Bonds.GetProperty().SetSpecularColor((double)1,(double)1,(double)1);
Bonds.GetProperty().SetColor((double)1,(double)1,(double)1);
ren1.AddActor((vtkProp)Bonds);
ren1.AddActor((vtkProp)Atoms);
//###################################################[]
ren1.SetBackground((double)1,(double)1,(double)1);
ren1.ResetCamera();
renWin.Render();
//method moved
renWin.AbortCheckEvt += new Kitware.VTK.vtkObject.vtkObjectEventHandler(TkCheckAbort_Command.Execute);
iren.Initialize();
//deleteAllVTKObjects();
}