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When I try to run RMG in cases where charge separated bidentates show up, the recent updates to draw.py cause the following error:
I have isolated the issue by running the following input file in rmg-py main and rmg-database main with just the addition of one reaction in a reaction library. This one reaction contains a charge separated bidentate: XOXNO.
The dictionary looks like:
And the reaction looks like:
I tried deleting this check and it fixed the error for me, but I'm sure these lines must be here for a reason, and maybe deleting them would cause issues for someone else.
The text was updated successfully, but these errors were encountered:
When I try to run RMG in cases where charge separated bidentates show up, the recent updates to draw.py cause the following error:
I have isolated the issue by running the following input file in rmg-py main and rmg-database main with just the addition of one reaction in a reaction library. This one reaction contains a charge separated bidentate: XOXNO.
The dictionary looks like:
And the reaction looks like:
Here are the files needed to regenerate this error:
generate_error.zip
I think it has to do with this check in draw.py:
I tried deleting this check and it fixed the error for me, but I'm sure these lines must be here for a reason, and maybe deleting them would cause issues for someone else.
The text was updated successfully, but these errors were encountered: