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Support multi-dimensional TorsionDrive grid indices #202

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merged 2 commits into from Nov 8, 2022
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chapincavender
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Description

This PR addresses #201 by supporting TorsionDrives with multi-dimensional grid indices.

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  • Ready to go

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codecov bot commented Aug 29, 2022

Codecov Report

Merging #202 (d1ae421) into main (e4d5add) will not change coverage.
The diff coverage is 100.00%.

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@jthorton
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jthorton commented Sep 6, 2022

@chapincavender Thanks for taking this on it looks great! I think we just need a test which involves a 2d torsion drive and this will be good to merge!

@chapincavender
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Thanks @jthorton! Do you think I can base the test on this one and pull down one of my 2-D amino acid datasets?

@dotsdl
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dotsdl commented Nov 8, 2022

This fixes an issue with string slicing; it works fine for the more common 1-D case, so I'm fine with merging as is.

@dotsdl dotsdl merged commit b252505 into main Nov 8, 2022
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3 participants