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RDS: some rxn geometries cause an error #59

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mattwelborn opened this issue Mar 5, 2020 · 0 comments
Open

RDS: some rxn geometries cause an error #59

mattwelborn opened this issue Mar 5, 2020 · 0 comments
Labels
bug Something isn't working data rds Related to the Reaction Dataset webapp
Milestone
RDS Beta

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@mattwelborn
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Webapp
RDS

Describe the bug
When certain geometries are selected in rxn-type datasets, KeyError: 'stoichiometry' is returned.

To Reproduce
Select MPCONF196, then the CAMVES_a molecule.

Expected behavior
The CAMVES_a molecule should be displayed without error.

Additional context
This is likely to be an issue with how conformers are handled in Portal/RDS.
@mattwelborn mattwelborn added bug Something isn't working rds Related to the Reaction Dataset webapp data labels Mar 5, 2020
@mattwelborn mattwelborn added this to the RDS Beta milestone Mar 5, 2020
@mattwelborn mattwelborn mentioned this issue Mar 17, 2020
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bug Something isn't working data rds Related to the Reaction Dataset webapp
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Milestone
RDS Beta
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@mattwelborn