Skip to content

Commit a051d04

Browse files
committed
Revert "Edit radical groups in the test database, to make unit test pass."
Because the change may alter estimates of radical thermo of OJ nodes that don't descend further to either HOJ or COJ or OOJ, and because the unit test is still fragile (to this tree being exactly the way it is) I think I have thought of a better fix, which I'll do next. This reverts commit b4b4f31.
1 parent b4b4f31 commit a051d04

1 file changed

Lines changed: 4 additions & 11 deletions

File tree

  • test/rmgpy/test_data/testing_database/thermo/groups

test/rmgpy/test_data/testing_database/thermo/groups/radical.py

Lines changed: 4 additions & 11 deletions
Original file line numberDiff line numberDiff line change
@@ -6047,17 +6047,10 @@
60476047
group="""
60486048
1 * O u1
60496049
""",
6050-
thermo="RJ",
6051-
shortDesc="""NOT RIGHT VALUE - EDITED FOR UNIT TESTING""",
6052-
longDesc="""
6053-
There's a unit test test_remove_group that wants to see what happens
6054-
if you remove a group that something else is referencing or pointing to.
6055-
So this group (OJ) points to RJ so that when the test deletes
6056-
RJ (which was pointing to CJ) we can test that this group would then
6057-
point directly to CJ.
6058-
Since this file is just use for testing purposes, we can use if for that test.
6059-
In the real database OJ points to COJ, not RJ.
6060-
https://github.com/ReactionMechanismGenerator/RMG-database/blob/0623bd4f891e7c9e6e669ac0efd5d99a79403429/input/thermo/groups/radical.py#L50284
6050+
thermo="COJ",
6051+
shortDesc="""""",
6052+
longDesc="""
6053+
60616054
""",
60626055
)
60636056

0 commit comments

Comments
 (0)