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add additional special groups to skip sample molecule generation
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testing/databaseTest.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1791,7 +1791,7 @@ def general_check_sample_descends_to_group(self, group_name, group):
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tst3 = []
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# Solvation groups have special groups that RMG cannot generate proper sample_molecules. Skip them.
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skip_entry_list = ['Cds-CdsCS6dd', 'Cs-CS4dHH']
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skip_entry_list = ['Cds-CdsCS6dd', 'Cs-CS4dHH', 'Li-OCring', 'CsOOOring', 'Cbf-CbfCbfCbf']
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skip_short_desc_list = ['special solvation group with ring', 'special solvation polycyclic group']
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for entryName, entry in group.entries.items():

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