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Reparse TorsionIndexer if a new mol is returned from the TK #99

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@trevorgokey trevorgokey commented Feb 4, 2021

Description

Repacks the TorsionIndexer object if it exists in the molecule so that new molecules work downstream as intended. A better, general solution to this is likely needed; I am placing this PR here as a placeholder of what I did to get around the problem.

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codecov bot commented Feb 4, 2021

Codecov Report

Merging #99 (0fb0fd0) into master (ce2df12) will decrease coverage by 0.07%.
The diff coverage is 70.00%.

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