def makeGraph(attributeType):
reader = vtk.vtkPDBReader()
reader.SetFileName("" + str(VTK_DATA_ROOT) + "/Data/3GQP.pdb")
reader.Update()
molecule = reader.GetOutputDataObject(1)
pd = molecule.GetAttributes(attributeType)
num = 0
if attributeType == vtk.vtkDataObject.VERTEX:
num = molecule.GetNumberOfVertices()
else:
num = molecule.GetNumberOfEdges()
a = [x for x in range(num)]
aa = numpy.array(a)
b = [x**2 for x in a]
bb = numpy.array(b)
array1 = np_s.numpy_to_vtk(aa, deep=True)
array1.SetName("ID")
array2 = np_s.numpy_to_vtk(bb, deep=True)
array2.SetName("Square")
pd.AddArray(array1)
pd.AddArray(array2)
return molecule
def __init__(self, module_manager):
SimpleVTKClassModuleBase.__init__(
self, module_manager,
vtk.vtkPDBReader(), 'Reading vtkPDB.',
(), ('vtkPDB',),
replaceDoc=True,
inputFunctions=None, outputFunctions=None)
def convert_vtk_file(vtk_file, plt_file, strand=None, solution_time=None):
reader = None
if vtk_file.endswith(".vtu"):
reader = vtk.vtkXMLUnstructuredGridReader()
elif vtk_file.endswith(".vtp"):
reader = vtk.vtkXMLPolyDataReader()
elif vtk_file.endswith(".vts"):
reader = vtk.vtkXMLStructuredGridReader()
elif vtk_file.endswith(".vti"):
reader = vtk.vtkXMLImageDataReader()
elif vtk_file.endswith(".pdb"):
reader = vtk.vtkPDBReader()
reader.SetFileName(vtk_file)
reader.Update()
vtk_dataset = reader.GetOutput()
tp.new_layout()
tecplot_dataset = tp.active_frame().dataset
add_vtk_dataset(vtk_dataset, tecplot_dataset)
if tecplot_dataset.num_zones == 0:
print("No zones created.")
return
for z in tecplot_dataset.zones():
z.name = os.path.basename(vtk_file)
if strand and solution_time:
z.strand = strand
z.solution_time = solution_time
tp.data.save_tecplot_plt(plt_file, dataset=tecplot_dataset)
def __init__(self, module_manager):
SimpleVTKClassModuleBase.__init__(self,
module_manager,
vtk.vtkPDBReader(),
'Reading vtkPDB.', (), ('vtkPDB', ),
replaceDoc=True,
inputFunctions=None,
outputFunctions=None)
def loadPDB(filename, bondScale=1, hydrogenBondScale=1, coilWidth=0.3, helixWidth=1.3):
"""Reads a molecule Protein Data Bank file."""
rr = vtk.vtkPDBReader()
rr.SetFileName('1btn.pdb')
rr.SetBScale(bondScale)
rr.SetHBScale(hydrogenBondScale)
rr.Update()
prf = vtk.vtkProteinRibbonFilter()
prf.SetCoilWidth(coilWidth)
prf.SetHelixWidth(helixWidth)
prf.SetInputData(rr.GetOutput())
prf.Update()
return Mesh(prf.GetOutput())
def ReadPDB(file_name):
pdb = vtk.vtkPDBReader()
pdb.SetFileName(file_name)
pdb.SetHBScale(1.0)
pdb.SetBScale(1.0)
pdb.Update()
sphere = vtk.vtkSphereSource()
sphere.SetCenter(0, 0, 0)
sphere.SetRadius(1)
glyph = vtk.vtkGlyph3D()
glyph.SetInputConnection(pdb.GetOutputPort())
glyph.SetSourceConnection(sphere.GetOutputPort())
glyph.SetOrient(1)
glyph.SetColorMode(1)
glyph.SetScaleMode(2)
glyph.SetScaleFactor(.25)
glyph.Update()
tube = vtk.vtkTubeFilter()
tube.SetInputConnection(pdb.GetOutputPort())
tube.SetNumberOfSides(6)
tube.CappingOff()
tube.SetRadius(0.2)
tube.SetVaryRadius(0)
tube.SetRadiusFactor(10)
tube.Update()
tubeMesh = vtk.vtkPolyData()
tubeMesh.ShallowCopy(tube.GetOutput())
N = tubeMesh.GetNumberOfPoints()
rgb_colors = tubeMesh.GetPointData().GetArray("rgb_colors")
if rgb_colors is not None:
if rgb_colors.GetNumberOfComponents() == 3:
for i in range(N):
rgb_colors.SetTupleValue(i, (127, 127, 127))
appendFilter = vtk.vtkAppendPolyData()
appendFilter.AddInputConnection(glyph.GetOutputPort())
try:
appendFilter.AddInputData(tubeMesh)
except:
appendFilter.AddInput(tubeMesh)
appendFilter.Update()
polyData = vtk.vtkPolyData()
polyData.ShallowCopy(appendFilter.GetOutput())
return polyData
def ReadPDB(file_name):
pdb = vtk.vtkPDBReader()
pdb.SetFileName(file_name)
pdb.SetHBScale(1.0)
pdb.SetBScale(1.0)
pdb.Update()
sphere = vtk.vtkSphereSource()
sphere.SetCenter(0, 0, 0)
sphere.SetRadius(1)
glyph = vtk.vtkGlyph3D()
glyph.SetInputConnection(pdb.GetOutputPort())
glyph.SetSourceConnection(sphere.GetOutputPort())
glyph.SetOrient(1)
glyph.SetColorMode(1)
glyph.SetScaleMode(2)
glyph.SetScaleFactor(.25)
glyph.Update()
tube = vtk.vtkTubeFilter()
tube.SetInputConnection(pdb.GetOutputPort())
tube.SetNumberOfSides(6)
tube.CappingOff()
tube.SetRadius(0.2)
tube.SetVaryRadius(0)
tube.SetRadiusFactor(10)
tube.Update()
tubeMesh = vtk.vtkPolyData()
tubeMesh.ShallowCopy(tube.GetOutput())
N = tubeMesh.GetNumberOfPoints()
rgb_colors = tubeMesh.GetPointData().GetArray("rgb_colors")
if rgb_colors is not None:
if rgb_colors.GetNumberOfComponents() == 3:
for i in xrange(N):
rgb_colors.SetTupleValue(i, (127,127,127))
appendFilter = vtk.vtkAppendPolyData()
appendFilter.AddInputConnection(glyph.GetOutputPort())
try:
appendFilter.AddInputData(tubeMesh)
except:
appendFilter.AddInput(tubeMesh)
appendFilter.Update()
polyData = vtk.vtkPolyData()
polyData.ShallowCopy(appendFilter.GetOutput())
return polyData
def initVtkProtein(self, pdbFile) :
reader = vtk.vtkPDBReader()
reader.SetFileName(pdbFile)
protein = vtk.vtkProteinRibbonFilter()
protein.SetInputConnection(reader.GetOutputPort())
protein.SetDrawSmallMoleculesAsSpheres(False)
protein.Update()
mProtein = vtk.vtkPolyDataMapper()
mProtein.SetInputData(protein.GetOutput())
mProtein.Update()
aProtein = vtk.vtkActor()
aProtein.SetMapper(mProtein)
return aProtein
# -*- coding: cp1252 -*-
import vtk
pdb0 = vtk.vtkPDBReader()
pdb0.SetFileName("caffeine.pdb")
sp = vtk.vtkSphereSource()
gly = vtk.vtkGlyph3D()
gly.SetInput(pdb0.GetOutput())
gly.SetColorMode(1)
gly.SetScaleMode(2)
gly.SetScaleFactor(0.5)
gly.SetSource(sp.GetOutput())
tb = vtk.vtkTubeFilter()
tb.SetInput(pdb0.GetOutput())
tb.SetNumberOfSides(20)
tb.SetRadius(0.2)
app = vtk.vtkAppendPolyData()
app.AddInput(gly.GetOutput())
app.AddInput(tb.GetOutput())
m = vtk.vtkPolyDataMapper()
m.SetInput(app.GetOutput())
m.Update()
a = vtk.vtkActor()
a.SetMapper(m)
def __init__(self, parent, visualizer, **kws):
"""
Initialization
"""
self.actorsInitialized = False
VisualizationModule.__init__(self, parent, visualizer, **kws)
self.descs = {"FileName": "PDB file",
"SphereRadius": "Sphere radius",
"TubeRadius": "Tube radius"}
self.enabled = 1
self.mapper = vtk.vtkPolyDataMapper()
self.mapper.UseLookupTableScalarRangeOff()
self.mapper.SetScalarVisibility(1)
self.mapper.SetScalarModeToDefault()
#make the actor from the mapper
self.actor = vtk.vtkLODActor()
self.actor.GetProperty().SetRepresentationToSurface()
self.actor.GetProperty().SetInterpolationToGouraud()
self.actor.GetProperty().SetColor(1,1,1)
self.actor.GetProperty().SetAmbient(0.15)
self.actor.GetProperty().SetDiffuse(0.85)
self.actor.GetProperty().SetSpecular(0.1)
self.actor.GetProperty().SetSpecularPower(100)
self.actor.GetProperty().SetSpecularColor(1,1,1)
self.actor.GetProperty().SetColor(1,1,1)
self.actor.SetNumberOfCloudPoints(30000)
self.actor.SetMapper(self.mapper)
self.reader = vtk.vtkPDBReader()
self.renderer = self.parent.getRenderer()
self.tubeFilter = vtk.vtkTubeFilter()
self.tubeFilter.SetNumberOfSides(8)
self.tubeFilter.SetCapping(0)
self.tubeFilter.SetRadius(0.2)
self.tubeFilter.SetVaryRadius(0)
self.tubeFilter.SetRadiusFactor(10)
self.mapper2 = vtk.vtkPolyDataMapper()
self.mapper2.UseLookupTableScalarRangeOff()
self.mapper2.SetScalarVisibility(1)
self.mapper2.SetScalarModeToDefault()
self.tubeActor = vtk.vtkLODActor()
self.tubeActor.SetMapper(self.mapper2)
self.tubeActor.GetProperty().SetRepresentationToSurface()
self.tubeActor.GetProperty().SetInterpolationToGouraud()
self.tubeActor.GetProperty().SetColor(1,1,1)
self.tubeActor.GetProperty().SetAmbient(0.15)
self.tubeActor.GetProperty().SetDiffuse(0.85)
self.tubeActor.GetProperty().SetSpecular(0.1)
self.tubeActor.GetProperty().SetSpecularPower(100)
self.tubeActor.GetProperty().SetSpecularColor(1,1,1)
self.tubeActor.SetNumberOfCloudPoints(30000)
self.sphereSource = vtk.vtkSphereSource()
self.sphereSource.SetCenter(0,0,0)
self.sphereSource.SetRadius(1)
self.sphereSource.SetThetaResolution(8)
self.sphereSource.SetStartTheta(0)
self.sphereSource.SetEndTheta(360)
self.sphereSource.SetPhiResolution(8)
self.sphereSource.SetStartPhi(0)
self.sphereSource.SetEndPhi(180)
self.glyph3D = vtk.vtkGlyph3D()
self.glyph3D.SetOrient(1)
self.glyph3D.SetColorMode(1)
self.glyph3D.SetScaleMode(2)
self.glyph3D.SetScaleFactor(.25)
self.glyph3D.SetSource(self.sphereSource.GetOutput())
self.filterDesc = "Visualize Protein Data Bank file"
#!/usr/bin/env python
import vtk
import molecules_io
pdb = vtk.vtkPDBReader()
pdb.SetFileName("TM2.pdb")
ball = vtk.vtkSphereSource()
ball.SetRadius(0.25)
ball.SetThetaResolution(8)
ball.SetPhiResolution(8)
ballGlyph = vtk.vtkGlyph3D()
ballGlyph.SetInput(pdb.GetOutput())
ballGlyph.SetColorMode(1)
ballGlyph.SetScaleMode(2)
ballGlyph.SetScaleFactor(0.25)
ballGlyph.SetSourceConnection(ball.GetOutputPort())
ballMapper = vtk.vtkPolyDataMapper()
ballMapper.SetInputConnection(ballGlyph.GetOutputPort())
ballMapper.ImmediateModeRenderingOn()
ballActor = vtk.vtkActor()
ballActor.SetMapper(ballMapper)
tubeFilter = vtk.vtkTubeFilter()
tubeFilter.SetInput(pdb.GetOutput())
tubeFilter.SetRadius(0.15)
tubeFilter.SetNumberOfSides(7)
tubeMapper = vtk.vtkPolyDataMapper()
def read(self):
from vtk import vtkPDBReader, vtkSphereSource, vtkGlyph3D, \
vtkPolyDataMapper, vtkLODActor, vtkTubeFilter
actor_list = self.actor_list
polydata_list = self.polydata_list
pdb = vtkPDBReader()
pdb.SetFileName(self.filename)
pdb.SetHBScale(1.0)
pdb.SetBScale(1.0)
if self.molecule_on:
sphere = vtkSphereSource()
sphere.SetCenter(0, 0, 0)
sphere.SetRadius(1)
sphere.SetThetaResolution(8)
sphere.SetStartTheta(0)
sphere.SetEndTheta(360)
sphere.SetPhiResolution(8)
sphere.SetStartPhi(0)
sphere.SetEndPhi(180)
glyph = vtkGlyph3D()
glyph.SetInputConnection(pdb.GetOutputPort())
#glyph.SetOrient(1)
glyph.SetColorMode(1)
glyph.ScalingOn()
glyph.SetScaleMode(2)
glyph.SetScaleFactor(0.25)
glyph.SetSource(sphere.GetOutput())
mapper = vtkPolyDataMapper()
mapper.SetInputConnection(glyph.GetOutputPort())
mapper.SetImmediateModeRendering(1)
mapper.UseLookupTableScalarRangeOff()
mapper.SetScalarVisibility(1)
mapper.SetScalarModeToDefault()
actor = vtkLODActor()
actor.SetMapper(mapper)
#actor.GetProperty().SetRepresentationToSurface()
#actor.GetProperty().SetInterpolationToGouraud()
#actor.GetProperty().SetAmbient(0.15)
#actor.GetProperty().SetDiffuse(0.85)
#actor.GetProperty().SetSpecular(0.1)
#actor.GetProperty().SetSpecularPower(100)
#actor.GetProperty().SetSpecularColor(1, 1, 1)
#actor.GetProperty().SetColor(1, 1, 1)
actor.SetNumberOfCloudPoints(30000)
actor_list.append(actor)
polydata_list.append(glyph.GetOutput())
if self.tubes_on:
tubes = vtkTubeFilter()
tubes.SetInputConnection(pdb.GetOutputPort())
tubes.SetNumberOfSides(8)
tubes.SetCapping(0)
tubes.SetRadius(0.2)
tubes.SetVaryRadius(0)
tubes.SetRadiusFactor(10)
tube_mapper = vtkPolyDataMapper()
tube_mapper.SetInputConnection(tubes.GetOutputPort())
tube_mapper.SetImmediateModeRendering(1)
tube_mapper.UseLookupTableScalarRangeOff()
tube_mapper.SetScalarVisibility(1)
tube_mapper.SetScalarModeToDefault()
tube_actor = vtkLODActor()
tube_actor.SetMapper(tube_mapper)
#tub_actor.GetProperty().SetRepresentationToSurface()
#tub_actor.GetProperty().SetInterpolationToGouraud()
#tub_actor.GetProperty().SetAmbient(0.15)
#tub_actor.GetProperty().SetDiffuse(0.85)
#tub_actor.GetProperty().SetSpecular(0.1)
#tub_actor.GetProperty().SetSpecularPower(100)
#tub_actor.GetProperty().SetSpecularColor(1, 1, 1)
#tub_actor.GetProperty().SetColor(1, 1, 1)
tube_actor.SetNumberOfCloudPoints(30000)
actor_list.append(tube_actor)
polydata_list.append(tubes.GetOutput())
return actor_list, polydata_list
# -*- coding: cp1252 -*-
import vtk
b = vtk.vtkPDBReader()
b.SetFileName("caffeine.pdb")
m = vtk.vtkPolyDataMapper()
m.SetInput(b.GetOutput())
m.Update()
a = vtk.vtkActor()
a.SetMapper(m)
ren = vtk.vtkRenderer()
ren.SetBackground(1, 1, 1)
ren.AddActor(a)
ren.ResetCamera()
renWin = vtk.vtkRenderWindow()
renWin.AddRenderer(ren)
rwi = vtk.vtkRenderWindowInteractor()
rwi.SetRenderWindow(renWin)
rwi.Initialize()
rwi.Render()
rwi.Start()
def main():
filename = get_program_parameters()
colors = vtk.vtkNamedColors()
renderer = vtk.vtkRenderer()
renderer.SetBackground(colors.GetColor3d("SlateGray"))
render_window = vtk.vtkRenderWindow()
render_window.AddRenderer(renderer)
render_window.SetSize(640, 480)
interactor = vtk.vtkRenderWindowInteractor()
interactor.SetRenderWindow(render_window)
pdb = vtk.vtkPDBReader()
pdb.SetFileName(filename)
pdb.SetHBScale(1.0)
pdb.SetBScale(1.0)
pdb.Update()
print("# of atoms is:", pdb.GetNumberOfAtoms())
resolution = math.sqrt(300000.0 / pdb.GetNumberOfAtoms())
if resolution > 20:
resolution = 20
if resolution < 4:
resolution = 4
print("Resolution is:", resolution)
sphere = vtk.vtkSphereSource()
sphere.SetCenter(0, 0, 0)
sphere.SetRadius(1)
sphere.SetThetaResolution(int(resolution))
sphere.SetPhiResolution(int(resolution))
glyph = vtk.vtkGlyph3D()
glyph.SetInputConnection(pdb.GetOutputPort())
glyph.SetOrient(1)
glyph.SetColorMode(1)
# glyph.ScalingOn();
glyph.SetScaleMode(2)
glyph.SetScaleFactor(.25)
glyph.SetSourceConnection(sphere.GetOutputPort())
atom_mapper = vtk.vtkPolyDataMapper()
atom_mapper.SetInputConnection(glyph.GetOutputPort())
atom_mapper.UseLookupTableScalarRangeOff()
atom_mapper.ScalarVisibilityOn()
atom_mapper.SetScalarModeToDefault()
atom = vtk.vtkLODActor()
atom.SetMapper(atom_mapper)
atom.GetProperty().SetRepresentationToSurface()
atom.GetProperty().SetInterpolationToGouraud()
atom.GetProperty().SetAmbient(0.1)
atom.GetProperty().SetDiffuse(0.7)
atom.GetProperty().SetSpecular(0.5)
atom.GetProperty().SetSpecularPower(80)
atom.GetProperty().SetSpecularColor(colors.GetColor3d("White"))
atom.SetNumberOfCloudPoints(30000)
renderer.AddActor(atom)
tube = vtk.vtkTubeFilter()
tube.SetInputConnection(pdb.GetOutputPort())
tube.SetNumberOfSides(int(resolution))
tube.CappingOff()
tube.SetRadius(0.2)
tube.SetVaryRadius(0)
tube.SetRadiusFactor(10)
bond_mapper = vtk.vtkPolyDataMapper()
bond_mapper.SetInputConnection(tube.GetOutputPort())
bond_mapper.UseLookupTableScalarRangeOff()
bond_mapper.ScalarVisibilityOff()
bond_mapper.SetScalarModeToDefault()
bond = vtk.vtkLODActor()
bond.SetMapper(bond_mapper)
bond.GetProperty().SetRepresentationToSurface()
bond.GetProperty().SetInterpolationToGouraud()
bond.GetProperty().SetAmbient(0.1)
bond.GetProperty().SetDiffuse(0.7)
bond.GetProperty().SetSpecular(0.5)
bond.GetProperty().SetSpecularPower(80)
bond.GetProperty().SetSpecularColor(colors.GetColor3d("White"))
renderer.AddActor(bond)
renderer.SetBackground(colors.GetColor3d("Green"))
render_window.Render()
interactor.Initialize()
interactor.Start()
def display_mod(self,mod): self.renderer.RemoveAllViewProps() if mod.type == 'mol': if mod.dspmodtype == 'CA': reader = vtk.vtkPDBReader() reader.SetFileName(mod.dfn) reader.SetHBScale(0) reader.SetBScale(4.0) mapper = vtk.vtkPolyDataMapper() mapper.SetInputConnection(reader.GetOutputPort()) mapper.SetScalarModeToDefault() acteur = vtk.vtkActor() acteur.SetMapper(mapper) else: #all atoms or backbone case reader = vtk.vtkPDBReader() reader.SetFileName(mod.dfn) mapper = vtk.vtkPolyDataMapper() mapper.SetInputConnection(reader.GetOutputPort()) mapper.SetScalarModeToDefault() acteur = vtk.vtkActor() acteur.SetMapper(mapper) self.camera.SetFocalPoint(0, 0, 0) self.camera.SetPosition(0, 0, 250) elif mod.type=='map': reader = vtk.vtkStructuredPointsReader() reader.SetFileName(mod.dfn) reader.Update() #by calling Update() we read the file iso = vtk.vtkMarchingContourFilter() iso.UseScalarTreeOn() iso.ComputeNormalsOn() iso.SetInputConnection(reader.GetOutputPort()) iso.SetValue(0,mod.isov*mod.sigavg[0]+mod.sigavg[1]) mapper = vtk.vtkOpenGLPolyDataMapper() mapper.SetInputConnection(iso.GetOutputPort()) ### <- connection here mapper.ScalarVisibilityOff() mapper.Update() acteur= vtk.vtkOpenGLActor() acteur.SetMapper(mapper) acteur.GetProperty().SetColor(0,0.35,1) if mod.rep=='Wireframe': acteur.GetProperty().SetRepresentationToWireframe() elif mod.rep=='Surface': acteur.GetProperty().SetRepresentationToSurface() else : acteur.GetProperty().SetRepresentationToWireframe() acteur.GetProperty().SetInterpolationToGouraud() acteur.GetProperty().SetSpecular(.4) acteur.GetProperty().SetSpecularPower(10) (xmin,xmax,ymin,ymax,zmin,zmax)=acteur.GetBounds() maxi=max(xmax-xmin,ymax-ymin,zmax-zmin) mini=min(xmax-xmin,ymax-ymin,zmax-zmin) fp=((xmax+xmin)/2.,(ymax+ymin)/2.,(zmax+zmin)/2.) self.camera.SetFocalPoint(fp[0],fp[1],fp[2]) self.camera.SetPosition(fp[0],fp[1],fp[2]+(zmax-zmin)*4.) else : print 'strange Error in mod.type' (xl, xu, yl, yu, zl, zu)=acteur.GetBounds() mod.coldist = min(xu-xl,yu-yl,zu-zl)/2. mod.sphdist = max(xu-xl,yu-yl,zu-zl)/2. self.renderer.AddActor(acteur) self.renderer.ResetCameraClippingRange() self.renwin.Render()
def load_mols(mol,rendmod,gfx,atomcol): mol.reader = vtk.vtkPDBReader() mol.reader.SetFileName(mol.mod.dfn) mol.reader.Update() #by calling Update() we read the file mol.reader.SetHBScale(mol.hbdsl) mol.reader.SetBScale(mol.bdsl) Localmol=[] beg=0 if mol.acteur!=None: pos = mol.acteur.GetPosition() ori = mol.acteur.GetOrientation() gfx.renderer.RemoveActor(mol.acteur) beg=1 if rendmod in [0,4] : mol.mapper = vtk.vtkPolyDataMapper() mol.mapper.SetInputConnection(mol.reader.GetOutputPort()) if atomcol!=1: mol.mapper.UseLookupTableScalarRangeOff() mol.mapper.SetScalarVisibility(0) else: mol.mapper.SetScalarModeToDefault() lacteur = vtk.vtkActor() lacteur.GetProperty().SetColor(mol.col) if mol.mod.dspmodtype=='AA': lacteur.GetProperty().SetLineWidth(3) else : lacteur.GetProperty().SetLineWidth(4) lacteur.SetMapper(mol.mapper) Localmol+=[lacteur] if rendmod in [1,3,4]: sphere = vtk.vtkSphereSource() sphere.SetCenter(0, 0, 0) sphere.SetRadius(1) sphere.SetThetaResolution(8) sphere.SetStartTheta(0) sphere.SetEndTheta(360) sphere.SetPhiResolution(8) sphere.SetStartPhi(0) sphere.SetEndPhi(180) glyph = vtk.vtkGlyph3D() glyph.SetInputConnection(mol.reader.GetOutputPort()) glyph.SetColorMode(1) glyph.ScalingOn() glyph.SetScaleMode(2) glyph.SetScaleFactor(0.25) glyph.SetSource(sphere.GetOutput()) mol.mapper = vtk.vtkPolyDataMapper() mol.mapper.SetInputConnection(glyph.GetOutputPort()) if atomcol!=1: mol.mapper.UseLookupTableScalarRangeOff() mol.mapper.SetScalarVisibility(0) else: mol.mapper.SetScalarModeToDefault() bacteur = vtk.vtkActor() bacteur.SetMapper(mol.mapper) bacteur.GetProperty().SetRepresentationToSurface() bacteur.GetProperty().SetInterpolationToGouraud() bacteur.GetProperty().SetAmbient(0.15) bacteur.GetProperty().SetDiffuse(0.85) bacteur.GetProperty().SetSpecular(0.1) bacteur.GetProperty().SetSpecularPower(100) bacteur.GetProperty().SetSpecularColor(1, 1, 1) bacteur.GetProperty().SetColor(mol.col) Localmol+=[bacteur] if rendmod in [2,3] : tubes = vtk.vtkTubeFilter() tubes.SetInputConnection(mol.reader.GetOutputPort()) tubes.SetNumberOfSides(8) tubes.SetCapping(0) tubes.SetRadius(1) tubes.SetVaryRadius(0) tubes.SetRadiusFactor(10) mol.mapper = vtk.vtkPolyDataMapper() mol.mapper.SetInputConnection(tubes.GetOutputPort()) if atomcol!=1: mol.mapper.UseLookupTableScalarRangeOff() mol.mapper.SetScalarVisibility(0) else: mol.mapper.SetScalarModeToDefault() tacteur = vtk.vtkActor() tacteur.SetMapper(mol.mapper) tacteur.GetProperty().SetRepresentationToSurface() tacteur.GetProperty().SetInterpolationToGouraud() tacteur.GetProperty().SetAmbient(0.15) tacteur.GetProperty().SetDiffuse(0.85) tacteur.GetProperty().SetSpecular(0.1) tacteur.GetProperty().SetSpecularPower(100) tacteur.GetProperty().SetSpecularColor(1, 1, 1) tacteur.GetProperty().SetColor(mol.col) Localmol+=[tacteur] assembly = vtk.vtkAssembly() for act in Localmol: assembly.AddPart(act) del act mol.acteur=assembly if beg: mol.acteur.SetPosition(pos) mol.acteur.SetOrientation(ori) else : remember_rottra(mol) gfx.renderer.AddActor(mol.acteur) gfx.renwin.Render()
