dcrrlab
commented
1 year ago Fantastic work getting this out so quickly, and seeing how to do the job!
[Our power's been out, and we're now in lab with internet; hoping it may be back when we go home shortly]Jane
Richardson Lab 132 Nanaline Duke Bldg. Duke U Med Ctr 3711 Durham NC 27710, USA 1-919-684-6010; fax 684-8885 @.***
From: Russell Taylor @.> Sent: Thursday, September 29, 2022 11:37 AM To: rlabduke/probe @.> Cc: Subscribed @.***> Subject: [rlabduke/probe] Version 2.24 sorts the raw dot output by increasing gap within the sa… (PR #12)
…me source and target atoms so that the condensed output reports the smallest (or most negative) gap.
You can view, comment on, or merge this pull request online at:
https://github.com/rlabduke/probe/pull/12https://urldefense.com/v3/__https://github.com/rlabduke/probe/pull/12__;!!OToaGQ!o6_TWOBwtmjEbZTU67Wzhpa4m7BbfU19WVsTaCN9gB5CqKEWYOBsF3cySeAB1bpdhzgE8g9B9sCy6peyYtK3x-Lj0Qgqsrd-YBQ$
Commit Summary
- 5b1a1e4https://urldefense.com/v3/__https://github.com/rlabduke/probe/pull/12/commits/5b1a1e457a0ba3dc631e9f6c7f867768b39d14aa__;!!OToaGQ!o6_TWOBwtmjEbZTU67Wzhpa4m7BbfU19WVsTaCN9gB5CqKEWYOBsF3cySeAB1bpdhzgE8g9B9sCy6peyYtK3x-Lj0Qgqpi5J3xw$ Version 2.24 sorts the raw dot output by increasing gap within the same source and target atoms so that the condensed output reports the smallest (or most negative) gap.
File Changes
Patch Links:
- https://github.com/rlabduke/probe/pull/12.patchhttps://urldefense.com/v3/__https://github.com/rlabduke/probe/pull/12.patch__;!!OToaGQ!o6_TWOBwtmjEbZTU67Wzhpa4m7BbfU19WVsTaCN9gB5CqKEWYOBsF3cySeAB1bpdhzgE8g9B9sCy6peyYtK3x-Lj0Qgq3yI94TQ$
- https://github.com/rlabduke/probe/pull/12.diffhttps://urldefense.com/v3/__https://github.com/rlabduke/probe/pull/12.diff__;!!OToaGQ!o6_TWOBwtmjEbZTU67Wzhpa4m7BbfU19WVsTaCN9gB5CqKEWYOBsF3cySeAB1bpdhzgE8g9B9sCy6peyYtK3x-Lj0Qgq4NC7iz4$
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…me source and target atoms so that the condensed output reports the smallest (or most negative) gap.