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fixes bug introduced in c355059

@diogomart diogomart requested a review from rwxayheee May 8, 2025 22:42
@diogomart diogomart added this to the v0.7.0 milestone May 8, 2025
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rwxayheee commented May 8, 2025

This looks good, do you find a conflict with #348 (wants rotatable triple bond) or we're ok with the current behavior (this PR)?
Can you provide some more description of what the bug was, and what is the expected behavior after this PR? I don't fully understand the usage of rotatable bonds, so some background would be really helpful

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The bug caused double bonds to rotate as in the figure below.

I think you are right: it clashes with #348, I'll add another test and fix if bug/clash confirmed.

alkene

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Looks good to me.

@diogomart diogomart merged commit 4156270 into forlilab:develop Jul 9, 2025
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@diogomart diogomart deleted the only_single_bonds_rotate branch July 9, 2025 00:21
@diogomart diogomart mentioned this pull request Jul 15, 2025
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3 participants