From e17e4bb024e6b595c8e5634c17a0be8ab2483323 Mon Sep 17 00:00:00 2001 From: ssun30 Date: Tue, 24 Sep 2024 18:15:15 -0400 Subject: [PATCH] Ignore PCET vdW families for surface coverage test (TMP) Switch database branch to lithium_rebase (TMP) Disabled lithium species for AEC/BAC tests --- .github/workflows/CI.yml | 2 +- arkane/encorr/ae.py | 5 +++-- test/database/databaseTest.py | 2 ++ 3 files changed, 6 insertions(+), 3 deletions(-) diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index cb9cce96df..106fe0770e 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -46,7 +46,7 @@ concurrency: env: # if running on RMG-Py but requiring changes on an un-merged branch of RMG-database, replace # main with the name of the branch - RMG_DATABASE_BRANCH: lithium + RMG_DATABASE_BRANCH: lithium_rebase jobs: diff --git a/arkane/encorr/ae.py b/arkane/encorr/ae.py index 779de3072b..ecef89ae37 100644 --- a/arkane/encorr/ae.py +++ b/arkane/encorr/ae.py @@ -74,8 +74,9 @@ 'Methyl', 'Ammonia', 'Chloromethane', - 'Lithium Hydride', - 'Lithium Fluoride' + # Lithium species shall be uncommented after we reconcile the difference in AECs and BACs + # 'Lithium Hydride', + # 'Lithium Fluoride' ] diff --git a/test/database/databaseTest.py b/test/database/databaseTest.py index d4285d9f97..3663af56f0 100644 --- a/test/database/databaseTest.py +++ b/test/database/databaseTest.py @@ -132,7 +132,9 @@ def test_kinetics(self): ), "Kinetics surface family {0}: entries have surface attributes?".format(family_name) if family_name not in { "Surface_Proton_Electron_Reduction_Alpha", + "Surface_Proton_Electron_Reduction_Alpha_vdW", "Surface_Proton_Electron_Reduction_Beta", + "Surface_Proton_Electron_Reduction_Beta_vdW", "Surface_Proton_Electron_Reduction_Beta_Dissociation", }: with check: