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Bug fixes #66

Merged
merged 2 commits into from
Dec 31, 2019
Merged

Bug fixes #66

merged 2 commits into from
Dec 31, 2019

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@BvB93 BvB93 commented Dec 31, 2019

  • Return the identity (rotation) matrix if a FloatingPointError is encountered during the creation of rotation matrices. This can occur if a ligand consists of a single atom.
  • Fixed a bug in the parsing of the mode parameter of distribute_idx(); "uniform" and "cluster" will now correctly link to np.argmax and np.argmin instead of the other way around.

@BvB93 BvB93 added the bug Something isn't working label Dec 31, 2019
@BvB93 BvB93 self-assigned this Dec 31, 2019
@BvB93 BvB93 merged commit 57e2de0 into master Dec 31, 2019
@BvB93 BvB93 mentioned this pull request Jan 6, 2020
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