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Maint #33

Merged
merged 10 commits into from
Nov 21, 2024
Merged

Maint #33

merged 10 commits into from
Nov 21, 2024

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fgrunewald
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Collection of maintenance things. This PR fixes:

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@pckroon pckroon left a comment

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Looks good, small questions/comments

cgsmiles/pysmiles_utils.py Outdated Show resolved Hide resolved
cgsmiles/pysmiles_utils.py Outdated Show resolved Hide resolved
Comment on lines +290 to +295
# multiple non-one bonding l
("CC=[$a]=[$b]CC",
"CCCC",
{1: ["$a2", "$b2"]},
None,
None),
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Maybe add "CC[$a]=[$b]CC"?

@fgrunewald fgrunewald requested a review from pckroon November 21, 2024 15:36
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LGTM!

@fgrunewald fgrunewald merged commit f53efae into master Nov 21, 2024
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2 participants