From 04ce6cdc261c359f11c72b0370620c9ddf5fa670 Mon Sep 17 00:00:00 2001 From: Patrick Li Date: Tue, 18 Jun 2024 16:19:52 -0400 Subject: [PATCH] fixed debug --- autosolvate/tests/test_multicomponent.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/autosolvate/tests/test_multicomponent.py b/autosolvate/tests/test_multicomponent.py index b58ceed..ef3c7a3 100644 --- a/autosolvate/tests/test_multicomponent.py +++ b/autosolvate/tests/test_multicomponent.py @@ -111,11 +111,11 @@ def test_mixture_builder(): path_exist *= os.path.exists(f"{res}.lib") path_exist *= os.path.exists(f"{res}.frcmod") + assert path_exist #print if MYBOX.pdb exists in local directory - print('DEBUG PATH': os.getcwd()) + print('DEBUG PATH:', os.getcwd()) print(os.path.exists("MYBOX.pdb")) print(os.path.exists(hp.get_reference_dir(f"multicomponent/MYBOX.pdb"))) - assert hp.compare_pdb("MYBOX.pdb", hp.get_reference_dir(f"multicomponent/MYBOX.pdb")) assert hp.compare_inpcrd_prmtop("MYBOX.prmtop", hp.get_reference_dir(f"multicomponent/MYBOX.prmtop")) \ No newline at end of file