Chimie Théorique » QMX

import numpy as np

from vtk import vtkProp3D, vtkPolyDataMapper, vtkActor, vtkLODActor, \

                vtkPointSet, vtkGlyph3D, vtkRenderer

from ase.visualize.vtk.sources import vtkCustomGlyphSource, \

                                      vtkClampedGlyphSource

# -------------------------------------------------------------------

class vtkModule:

    """Modules represent a unified collection of VTK objects needed for

    introducing basic visualization concepts such as surfaces or shapes.

    A common trait of all modules is the need for an actor representation and

    corresponding generic properties such as lighting, color and transparency.

    """ 

    def __init__(self, vtk_act, vtk_property=None):

        """Construct basic VTK-representation of a module.

        vtk_act: Instance of vtkActor or subclass thereof

            A vtkActor represents an entity in a rendering scene.

        vtk_property = None: Instance of vtkProperty or subclass thereof

            A vtkProperty represents e.g. lighting and other surface

            properties of a geometric object, in this case the actor.

        """

        self.vtk_act = None

        self.set_actor(vtk_act)

        if vtk_property is not None:

            self.set_property(vtk_property)

    def set_actor(self, vtk_act):

        """Set the actor representing this module in a rendering scene."""

        assert isinstance(vtk_act, vtkActor)

        self.vtk_act = vtk_act

    def set_property(self, vtk_property):

        """Set the property of the actor representing this module."""

        self.vtk_act.SetProperty(vtk_property)

    def get_actor(self):

        """Return the actor representing this module in a rendering scene."""

        return self.vtk_act

# -------------------------------------------------------------------

class vtkLODModule(vtkModule):

    _vtk_actor_class = vtkLODActor

    def get_lod(self):

        return 100

    def set_actor(self, vtk_act):

        vtkModule.set_actor(self, vtk_act)

        if isinstance(vtk_act, vtkLODActor):

            vtk_act.SetNumberOfCloudPoints(self.get_lod())

class vtkPolyDataModule(vtkModule):

    _vtk_actor_class = vtkActor

    __doc__ = vtkModule.__doc__ + """

    Poly data modules are based on polygonal data sets, which can be mapped

    into graphics primitives suitable for rendering within the VTK framework.

    """

    def __init__(self, vtk_polydata, vtk_property=None):

        """Construct VTK-representation of a module containing polygonals.

        vtk_polydata: Instance of vtkPolyData, subclass thereof or

            vtkPolyDataAlgorithm, which produces vtkPolyData as output.

            A vtkPolyData represents a polygonal data set consisting of

            point and cell attributes, which can be mapped to graphics

            primitives for subsequent rendering.

        vtk_property = None: Instance of vtkProperty or subclass thereof

            A vtkProperty represents e.g. lighting and other surface

            properties of a geometric object, in this case the polydata.

        """

        vtkModule.__init__(self, self._vtk_actor_class(), vtk_property)

        self.vtk_dmap = vtkPolyDataMapper()

        self.vtk_dmap.SetInputConnection(vtk_polydata.GetOutputPort())

        self.vtk_act.SetMapper(self.vtk_dmap)

class vtkGlyphModule(vtkPolyDataModule):

    __doc__ = vtkPolyDataModule.__doc__ + """

    Glyph modules construct these polygonal data sets by replicating a glyph

    source across a specific set of points, using available scalar or vector

    point data to scale and orientate the glyph source if desired.

    Example:

    >>> atoms = molecule('C60')

    >>> cell = vtkUnitCellModule(atoms)

    >>> apos = vtkAtomicPositions(atoms.get_positions(), cell)

    >>> vtk_ugd = apos.get_unstructured_grid()

    >>> glyph_source = vtkAtomSource('C')

    >>> glyph_module = vtkGlyphModule(vtk_ugd, glyph_source)

    """

    def __init__(self, vtk_pointset, glyph_source,

                 scalemode=None, colormode=None):

        """Construct VTK-representation of a module containing glyphs.

        These glyphs share a common source, defining their geometrical

        shape, which is cloned and oriented according to the input data.

        vtk_pointset: Instance of vtkPointSet or subclass thereof

            A vtkPointSet defines a set of positions, which may then be

            assigned specific scalar of vector data across the entire set.

        glyph_source: Instance of ~vtk.vtkCustomGlyphSource or subclass thereof

            Provides the basic shape to distribute over the point set.

        """

        assert isinstance(vtk_pointset, vtkPointSet)

        assert isinstance(glyph_source, vtkCustomGlyphSource)

        # Create VTK Glyph3D based on unstructured grid

        self.vtk_g3d = vtkGlyph3D()

        self.vtk_g3d.SetInput(vtk_pointset)

        self.vtk_g3d.SetSource(glyph_source.get_output())

        self.vtk_g3d.SetScaleFactor(glyph_source.get_scale())

        # Clamping normalizes the glyph scaling to within the range [0,1].

        # Setting a scale factor will then scale these by the given factor.

        if isinstance(glyph_source, vtkClampedGlyphSource):

            self.vtk_g3d.SetClamping(True)

            self.vtk_g3d.SetRange(glyph_source.get_range())

        if scalemode is 'off':

            self.vtk_g3d.SetScaleModeToDataScalingOff()

        elif scalemode is 'scalar':

            self.vtk_g3d.SetScaleModeToScaleByScalar()

        elif scalemode is 'vector':

            self.vtk_g3d.SetScaleModeToScaleByVector()

        elif scalemode is not None:

            raise ValueError('Unrecognized scale mode \'%s\'.' % scalemode)

        if colormode is 'scale':

            self.vtk_g3d.SetColorModeToColorByScale()

        elif colormode is 'scalar':

            self.vtk_g3d.SetColorModeToColorByScalar()

        elif colormode is 'vector':

            self.vtk_g3d.SetColorModeToColorByVector()

        elif colormode is not None:

            raise ValueError('Unrecognized scale mode \'%s\'.' % scalemode)

        vtkPolyDataModule.__init__(self, self.vtk_g3d, glyph_source.get_property())

# -------------------------------------------------------------------

class vtkLabelModule(vtkModule):

    def __init__(self, vtk_pointset, vtk_property=None):

        vtk_Module.__init__(self, vtkActor(), vtk_property)

        assert isinstance(vtk_pointset, vtkPointSet)

        self.vtk_dmap = vtkLabeledDataMapper()

        #self.vtk_dmap.SetLabelModeToLabelIds() #TODO XXX strings!!!

        self.vtk_dmap.GetLabelTextProperty().SetFontSize(12)

        self.vtk_dmap.GetLabelTextProperty().SetJustificationToRight()

        self.vtk_dmap.SetInputConnection(vtk_pointset.GetOutputPort())

        self.vtk_act.SetMapper(self.vtk_dmap)

        #vtk_g3d.GetPointIdsName...

# -------------------------------------------------------------------

class vtkModuleAnchor:

    """

    TODO XXX

    """

    def __init__(self):

        """Construct an anchoring point for various VTK modules.

        """

        self.modules = {}

    def get_module(self, name):

        if name not in self.modules.keys():

            raise RuntimeError('Module \'%s\' does not exists.' % name)

        return self.modules[name]

    def add_module(self, name, module):

        if not isinstance(module, vtkModule):

            raise ValueError('Module must be instance of vtkModule.')

        if name in self.modules.keys():

            raise RuntimeError('Module \'%s\' already exists.' % name)

        self.modules[name] = module

    def get_actor(self, name):

        return self.get_module(name).get_actor()

    def add_actors_to_renderer(self, vtk_renderer, name=None):

        assert isinstance(vtk_renderer, vtkRenderer)

        if name is None:

            for module in self.modules.values():

                vtk_renderer.AddActor(module.get_actor())

        else:

            vtk_renderer.AddActor(self.get_actor(name))