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Improve Bond Visualisation

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@chrisjsewell chrisjsewell released this 09 Apr 10:46
v0.3.2
eb12723
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This release introduces additional configuration/functionality for visualising bonds:

  • bond_radii_scale: Factor to scale atomic radii by, when computing bonds (via overlapping radii)
  • bond_array_name: The name of a boolean array on the ase.Atoms, specifying which atoms that bonds should be drawn for
  • bond_pairs_filter: A list of bond element pairs to filter by
  • bond_color_by: How to color bond: 'atoms' (same as connecting atoms) or 'length'
  • bond_colormap: The matplotlib colormap to use with ``bond_color_by='length'`
  • bond_colormap_range: The matplotlib colormap normalisation to use with bond_color_by='length'

Also, document testing was moved to CircleCI and numpy pinning was bumped to 1.19

Assets 2