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fix: Use get_motif_features() for is_motif_atom lookup - #378

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r-krishna merged 2 commits into
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fix_hbond_metrics
Sep 2, 2026
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fix: Use get_motif_features() for is_motif_atom lookup#378
r-krishna merged 2 commits into
productionfrom
fix_hbond_metrics

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@rclune

@rclune rclune commented Aug 24, 2026

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Replace direct attribute access on atom_array with get_motif_features() from conditioning_base to retrieve is_motif_atom, making the hbonds_hbplus transform consistent with how motif features are obtained elsewhere.

AI Disclosure: Claude Sonnet 5 was used to create this PR

rclune added 2 commits August 24, 2026 15:51
Replace direct attribute access on atom_array with get_motif_features() from conditioning_base to retrieve is_motif_atom, making the hbonds_hbplus transform consistent with how motif features are obtained elsewhere.
Replace direct atom_array.is_motif_atom attribute access with get_motif_features() helper in both rfd3na and rfd3 hbonds_hbplus transforms. Also adds the missing import and usage of get_motif_features in rfd3na, which was previously absent.
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rclune force-pushed the fix_hbond_metrics branch from efee6a2 to 1c8886f Compare August 25, 2026 16:04
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rclune requested a review from r-krishna August 25, 2026 16:14

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looks good to me!

@r-krishna
r-krishna merged commit b02eed6 into production Sep 2, 2026
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@r-krishna
r-krishna deleted the fix_hbond_metrics branch September 2, 2026 00:19
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2 participants