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The proper Adjacency list for CO is:
1 C u0 p1 c-1 {2,T} 2 O u0 p1 c+1 {1,T}
Imputing many of the acceptable names for the compound, like [C-]#[O+] an Adj list that throws an invalid adjacency list error.
[C-]#[O+]
1 C u0 p0 c-1 {2,T} 2 O u0 p1 c+1 {1,T}
In addition, the drawing of CO with the proper adj list in molecule search is -CO, and I think this may arise from a similar issue.
-CO
The text was updated successfully, but these errors were encountered:
This issue is closely related to the more major issue: ReactionMechanismGenerator/RMG-Py#489
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This appears to be fixed. Inputting [C-]#[O+] gives the correct adjacency list.
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The proper Adjacency list for CO is:
Imputing many of the acceptable names for the compound, like
[C-]#[O+]
an Adj list that throws an invalid adjacency list error.In addition, the drawing of CO with the proper adj list in molecule search is
-CO
, and I think this may arise from a similar issue.The text was updated successfully, but these errors were encountered: