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Interactions cannot be removed #271

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fgrunewald opened this issue Sep 8, 2022 · 0 comments
Open

Interactions cannot be removed #271

fgrunewald opened this issue Sep 8, 2022 · 0 comments
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bug Something isn't working vermouth_vs_polyply things that are the same but are not

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@fgrunewald
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Describe the bug
At the moment polyply cannot remove interactions using the !interaction directive syntax. Usually this is not a big deal but it contributes to the divergence.

Expected behavior
If links contain the '!interaction' directive the corresponding interaction if present is removed from the molecule interactions list.
@fgrunewald fgrunewald added bug Something isn't working vermouth_vs_polyply things that are the same but are not labels Sep 8, 2022
@fgrunewald fgrunewald mentioned this issue Sep 8, 2022
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bug Something isn't working vermouth_vs_polyply things that are the same but are not
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