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  • Committer: Bazaar Package Importer
  • Author(s): Varun Hiremath
  • Date: 2011-07-09 01:18:36 UTC
  • mfrom: (1.1.10 upstream) (2.2.3 sid)
  • Revision ID: james.westby@ubuntu.com-20110709011836-fha21zirlgkqh92s
Tags: 4.0.0-1
http://bugs.debian.org/625148
* New upstream release
* debian/control:
  - Bump Standards-Version to 3.9.2
  - Set X-Python-Version: 2.6, fixes FTBFS (Closes: #625148)
  - Update Depends
* Update debian/watch file
* Cleanup debian/rules file

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examples/mayavi/mlab/chemistry.py
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The electron localization function is displayed using volume rendering.
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Good use of the `vmin` and `vmax` argument to
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`mlab.pipeline.volume` is critical to achieve a good visualization: the 
 
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`mlab.pipeline.volume` is critical to achieve a good visualization: the
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`vmin` threshold should placed high-enough for features to stand out.
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The original is an electron localization function from Axel Kohlmeyer.
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"""
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# Author: Gael Varoquaux <gael.varoquaux@normalesup.org> 
 
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# Author: Gael Varoquaux <gael.varoquaux@normalesup.org>
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# Copyright (c) 2008, Enthought, Inc.
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# License: BSD Style.
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    opener = urllib.urlopen(
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        'http://code.enthought.com/projects/mayavi/data/h2o-elf.cube'
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        )
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    open('h2o-elf.cube', 'w').write(opener.read())
 
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    open('h2o-elf.cube', 'wb').write(opener.read())
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# Plot the atoms and the bonds #################################################
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import numpy as np
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from enthought.mayavi import mlab
 
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from mayavi import mlab
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mlab.figure(1, bgcolor=(0, 0, 0), size=(350, 350))
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mlab.clf()
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atoms_y = np.array([3.0, 3.0, 3.0])*40/5.5
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atoms_z = np.array([3.8, 2.9, 2.7])*40/5.5
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O = mlab.points3d(atoms_x[1:-1], atoms_y[1:-1], atoms_z[1:-1], 
 
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O = mlab.points3d(atoms_x[1:-1], atoms_y[1:-1], atoms_z[1:-1],
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                  scale_factor=3,
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                  resolution=20,
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                  color=(1, 0, 0),
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                  scale_mode='none')
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H1 = mlab.points3d(atoms_x[:1], atoms_y[:1], atoms_z[:1], 
 
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H1 = mlab.points3d(atoms_x[:1], atoms_y[:1], atoms_z[:1],
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                   scale_factor=2,
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                   resolution=20,
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                   color=(1, 1, 1),
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                   scale_mode='none')
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H2 = mlab.points3d(atoms_x[-1:], atoms_y[-1:], atoms_z[-1:], 
 
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H2 = mlab.points3d(atoms_x[-1:], atoms_y[-1:], atoms_z[-1:],
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                   scale_factor=2,
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                   resolution=20,
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                   color=(1, 1, 1),
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# The bounds between the atoms, we use the scalar information to give
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# color
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mlab.plot3d(atoms_x, atoms_y, atoms_z, [1, 2, 1], 
 
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mlab.plot3d(atoms_x, atoms_y, atoms_z, [1, 2, 1],
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            tube_radius=0.4, colormap='Reds')
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# Display the electron localization function ###################################
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source = mlab.pipeline.scalar_field(data)
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min = data.min()
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max = data.max()
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vol = mlab.pipeline.volume(source, vmin=min+0.65*(max-min), 
 
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vol = mlab.pipeline.volume(source, vmin=min+0.65*(max-min),
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                                   vmax=min+0.9*(max-min))
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mlab.view(132, 54, 45, [21, 20, 21.5])