From 136327910c4238f56aab61895750dc10aabc9240 Mon Sep 17 00:00:00 2001 From: Nora Khalil Date: Tue, 24 Sep 2024 15:47:09 -0400 Subject: [PATCH] removing annoying testing debugging message in filtration.py --- rmgpy/molecule/filtration.py | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/rmgpy/molecule/filtration.py b/rmgpy/molecule/filtration.py index 40185c40f7..09a7aa362b 100644 --- a/rmgpy/molecule/filtration.py +++ b/rmgpy/molecule/filtration.py @@ -63,9 +63,7 @@ def filter_structures(mol_list, mark_unreactive=True, allow_expanded_octet=True, mol.update() if not all([(mol.multiplicity == mol_list[0].multiplicity) for mol in mol_list]): raise ValueError("Cannot filter structures with different multiplicities!") - - if 'F' in mol_list[0].smiles: - print('testing') + # Get an octet deviation list octet_deviation_list = get_octet_deviation_list(mol_list, allow_expanded_octet=allow_expanded_octet)