Skip to content

Commit

Permalink
add additional special groups to skip sample molecule generation
Browse files Browse the repository at this point in the history
  • Loading branch information
mjohnson541 committed Jun 3, 2023
1 parent e9e2f88 commit a4d4d97
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion testing/databaseTest.py
Expand Up @@ -1790,7 +1790,7 @@ def general_check_sample_descends_to_group(self, group_name, group):
tst3 = []

# Solvation groups have special groups that RMG cannot generate proper sample_molecules. Skip them.
skip_entry_list = ['Cds-CdsCS6dd', 'Cs-CS4dHH']
skip_entry_list = ['Cds-CdsCS6dd', 'Cs-CS4dHH', 'Li-OCring', 'CsOOOring', 'Cbf-CbfCbfCbf']
skip_short_desc_list = ['special solvation group with ring', 'special solvation polycyclic group']

for entryName, entry in group.entries.items():
Expand Down

0 comments on commit a4d4d97

Please sign in to comment.