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Database error in Chemistry Cafe version 1 #78

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mattldawson opened this issue Dec 12, 2024 · 0 comments
Open

Database error in Chemistry Cafe version 1 #78

mattldawson opened this issue Dec 12, 2024 · 0 comments
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mattldawson commented Dec 12, 2024

From Louisa:

I just tried to correct a reaction in the Chemistry Cafe and got an error that it failed when I tried to commit it:

"\nCommit FAILED!\nBegin Transaction, safe:1\nsafe new photolysis with pid \n New wrf rate:47\nsafe new comment with id \nsafe comment added to new photolysis \nsafe old comments added to new photolysis \nprodarr:[[null,\"OH\"],[null,\"CH2O\"],[null,\"NO2\"],[null,\"BZALD\"]]\nsafe new products, coeff::prod:OH:\nsafe new products, coeff::prod:CH2O:\nsafe new products, coeff::prod:NO2:\nsafe new products, coeff::prod:BZALD:\nsafeAdd reaction  to branch TS1.3\nsafeRemoving reaction 6154 from branch TS1.3\nsafeAdd reaction  to branch TS1.4\nsafeRemoving reaction 6154 from branch TS1.4\nsafeAdd reaction  to branch TS1_butanes_pentanes\nsafeRemoving reaction 6154 from branch TS1_butanes_pentanes\nsafeAdd reaction  to branch TS2.3\nsafeRemoving reaction 6154 from branch TS2.3\nsafeAdd reaction  to branch TS2.3-fullVBS\nsafeRemoving reaction 6154 from branch TS2.3-fullVBS\nsafeAdd reaction  to branch TS3_isop_mt_alkanes_v1\nsafeRemoving reaction 6154 from branch TS3_isop_mt_alkanes_v1\n"

I got the error for a photolysis reaction.
I just changed a kinetics reaction and that worked.

I was just trying to edit the products of an existing photolysis reaction.
I just tried this again - changing the products of NSTYROOH photolysis - replace HO2 with NO2.
Attached are the screenshots of my change and the error.

Screenshot 2024-12-20 at 2 36 36 PM Screenshot 2024-12-20 at 2 36 58 PM
@mattldawson mattldawson added this to the Tech Debt milestone Dec 12, 2024
@mattldawson mattldawson self-assigned this Dec 20, 2024
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