root / ase / visualize / vtk / cell.py @ 3
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| 1 | 1 | tkerber | |
|---|---|---|---|
| 2 | 1 | tkerber | import numpy as np |
| 3 | 1 | tkerber | |
| 4 | 1 | tkerber | from ase import Atoms |
| 5 | 1 | tkerber | |
| 6 | 1 | tkerber | from vtk import vtkOutlineSource, vtkAxesActor, vtkProperty2D, vtkTextProperty |
| 7 | 1 | tkerber | from ase.visualize.vtk.module import vtkModule, vtkPolyDataModule |
| 8 | 1 | tkerber | |
| 9 | 1 | tkerber | # -------------------------------------------------------------------
|
| 10 | 1 | tkerber | |
| 11 | 1 | tkerber | class vtkUnitCellModule(vtkPolyDataModule): |
| 12 | 1 | tkerber | def __init__(self, atoms): |
| 13 | 1 | tkerber | |
| 14 | 1 | tkerber | assert isinstance(atoms, Atoms) |
| 15 | 1 | tkerber | self.pbc = atoms.get_pbc()
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| 16 | 1 | tkerber | |
| 17 | 1 | tkerber | cell = atoms.get_cell() |
| 18 | 1 | tkerber | |
| 19 | 1 | tkerber | """
|
| 20 | 1 | tkerber | if not isinstance(cell, np.ndarray):
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| 21 | 1 | tkerber | cell = np.array(cell)
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| 22 | 1 | tkerber |
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| 23 | 1 | tkerber | if cell.shape == (3,):
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| 24 | 1 | tkerber | cell = np.diag(cell)
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| 25 | 1 | tkerber |
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| 26 | 1 | tkerber | assert cell.dtype == float and cell.shape == (3, 3)
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| 27 | 1 | tkerber | """
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| 28 | 1 | tkerber | |
| 29 | 1 | tkerber | self.vtk_outline = vtkOutlineSource()
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| 30 | 1 | tkerber | |
| 31 | 1 | tkerber | if (cell - np.diag(cell.diagonal())).any():
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| 32 | 1 | tkerber | corners = np.empty((8,3), dtype=float) |
| 33 | 1 | tkerber | # edges = [map(int,[(i-1)%2==0,i%4>=2,i>=4]) for i in range(8)]
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| 34 | 1 | tkerber | for c,a in enumerate([(0, 0, 0), (1, 0, 0), (0, 1, 0), (1, 1, 0), \ |
| 35 | 1 | tkerber | (0, 0, 1), (1, 0, 1), (0, 1, 1), (1, 1, 1)]): |
| 36 | 1 | tkerber | corners[c] = np.dot(a, cell) |
| 37 | 1 | tkerber | self.bbox = np.array(zip(np.min(corners, axis=0), \ |
| 38 | 1 | tkerber | np.max(corners, axis=0))).ravel()
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| 39 | 1 | tkerber | self.vtk_outline.SetCorners(corners.ravel())
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| 40 | 1 | tkerber | self.vtk_outline.SetBoxTypeToOriented()
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| 41 | 1 | tkerber | else:
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| 42 | 1 | tkerber | self.bbox = np.array(zip(np.zeros(3),cell.diagonal())).ravel() |
| 43 | 1 | tkerber | self.vtk_outline.SetBounds(self.bbox) |
| 44 | 1 | tkerber | |
| 45 | 1 | tkerber | vtkPolyDataModule.__init__(self, self.vtk_outline) |
| 46 | 1 | tkerber | |
| 47 | 1 | tkerber | def get_bounding_box(self): |
| 48 | 1 | tkerber | return self.bbox |
| 49 | 1 | tkerber | |
| 50 | 1 | tkerber | def get_size(self): |
| 51 | 1 | tkerber | return self.bbox[1::2]-self.bbox[0::2] |
| 52 | 1 | tkerber | |
| 53 | 1 | tkerber | def get_pbc(self): |
| 54 | 1 | tkerber | return self.pbc |
| 55 | 1 | tkerber | |
| 56 | 1 | tkerber | def get_characteristic_length(self): |
| 57 | 1 | tkerber | return np.prod(self.get_size())**(1.0/3.0) |
| 58 | 1 | tkerber | |
| 59 | 1 | tkerber | # -------------------------------------------------------------------
|
| 60 | 1 | tkerber | |
| 61 | 1 | tkerber | class vtkAxesModule(vtkModule): |
| 62 | 1 | tkerber | def __init__(self, cell): |
| 63 | 1 | tkerber | |
| 64 | 1 | tkerber | assert isinstance(cell, vtkUnitCellModule) |
| 65 | 1 | tkerber | self.cell = cell
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| 66 | 1 | tkerber | |
| 67 | 1 | tkerber | l0 = self.cell.get_characteristic_length()
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| 68 | 1 | tkerber | |
| 69 | 1 | tkerber | # Create VTK axes actor (not really a VTK actor though)
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| 70 | 1 | tkerber | self.vtk_ax = vtkAxesActor()
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| 71 | 1 | tkerber | self.vtk_ax.SetTipTypeToCone()
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| 72 | 1 | tkerber | self.vtk_ax.SetConeRadius(5e-2*l0) |
| 73 | 1 | tkerber | self.vtk_ax.SetShaftTypeToCylinder()
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| 74 | 1 | tkerber | self.vtk_ax.SetCylinderRadius(5e-3*l0) |
| 75 | 1 | tkerber | |
| 76 | 1 | tkerber | # Create VTK two-dimensional property
|
| 77 | 1 | tkerber | p2d = vtkProperty2D() |
| 78 | 1 | tkerber | p2d.SetDisplayLocationToBackground() |
| 79 | 1 | tkerber | |
| 80 | 1 | tkerber | vtkModule.__init__(self, self.vtk_ax, p2d) |
| 81 | 1 | tkerber | |
| 82 | 1 | tkerber | # Create VTK text property and apply to axes
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| 83 | 1 | tkerber | vtk_textproperty = vtkTextProperty() |
| 84 | 1 | tkerber | vtk_textproperty.SetFontSize(14)
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| 85 | 1 | tkerber | vtk_textproperty.SetBold(True)
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| 86 | 1 | tkerber | vtk_textproperty.SetItalic(True)
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| 87 | 1 | tkerber | vtk_textproperty.SetShadow(True)
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| 88 | 1 | tkerber | vtk_textproperty.SetJustificationToRight() |
| 89 | 1 | tkerber | vtk_textproperty.SetVerticalJustificationToCentered() |
| 90 | 1 | tkerber | |
| 91 | 1 | tkerber | self.set_text_property(vtk_textproperty)
|
| 92 | 1 | tkerber | |
| 93 | 1 | tkerber | def set_actor(self, vtk_act): |
| 94 | 1 | tkerber | assert isinstance(vtk_act, vtkAxesActor) #fix for non-vtkActor actor |
| 95 | 1 | tkerber | self.vtk_act = vtk_act
|
| 96 | 1 | tkerber | |
| 97 | 1 | tkerber | def set_property(self, vtk_property): |
| 98 | 1 | tkerber | assert isinstance(vtk_property, vtkProperty2D) |
| 99 | 1 | tkerber | for vtk_cap in [self.vtk_ax.GetXAxisCaptionActor2D(), |
| 100 | 1 | tkerber | self.vtk_ax.GetYAxisCaptionActor2D(),
|
| 101 | 1 | tkerber | self.vtk_ax.GetZAxisCaptionActor2D()]:
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| 102 | 1 | tkerber | #vtk_cap.ThreeDimensionalLeaderOn()
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| 103 | 1 | tkerber | #vtk_cap.LeaderOn()
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| 104 | 1 | tkerber | vtk_cap.SetProperty(vtk_property) |
| 105 | 1 | tkerber | vtk_txt = vtk_cap.GetTextActor() |
| 106 | 1 | tkerber | vtk_txt.SetProperty(vtk_property) |
| 107 | 1 | tkerber | |
| 108 | 1 | tkerber | def set_text_property(self, vtk_textproperty, scaled=False): |
| 109 | 1 | tkerber | assert isinstance(vtk_textproperty, vtkTextProperty) |
| 110 | 1 | tkerber | for vtk_cap in [self.vtk_ax.GetXAxisCaptionActor2D(), |
| 111 | 1 | tkerber | self.vtk_ax.GetYAxisCaptionActor2D(),
|
| 112 | 1 | tkerber | self.vtk_ax.GetZAxisCaptionActor2D()]:
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| 113 | 1 | tkerber | vtk_txt = vtk_cap.GetTextActor() |
| 114 | 1 | tkerber | vtk_txt.SetScaledText(scaled) |
| 115 | 1 | tkerber | vtk_txt.SetTextProperty(vtk_textproperty) |