From 87f00d3b4de8cbaabddff36990517125f0544833 Mon Sep 17 00:00:00 2001 From: Patrick Li Date: Tue, 18 Jun 2024 16:48:32 -0400 Subject: [PATCH] test --- autosolvate/tests/test_multicomponent.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/autosolvate/tests/test_multicomponent.py b/autosolvate/tests/test_multicomponent.py index f030dde..3ed00ce 100644 --- a/autosolvate/tests/test_multicomponent.py +++ b/autosolvate/tests/test_multicomponent.py @@ -114,9 +114,9 @@ def test_mixture_builder(): assert path_exist #print if MYBOX.pdb exists in local directory - with open("output.txt", "w") as f: - f.write('DEBUG PATH: ' + os.getcwd() + '\n') - f.write(str(os.path.exists("MYBOX.pdb")) + '\n') - f.write(str(os.path.exists(hp.get_reference_dir(f"multicomponent/MYBOX.pdb"))) + '\n') - # assert hp.compare_pdb("MYBOX.pdb", hp.get_reference_dir(f"multicomponent/MYBOX.pdb")) + print('DEBUG PATH:', os.getcwd()) + print(os.path.exists("MYBOX.pdb"), os.path.abspath("MYBOX.pdb")) + print(os.path.exists(hp.get_reference_dir(f"multicomponent/MYBOX.pdb")), hp.get_reference_dir(f"multicomponent/MYBOX.pdb")) + print(hp.compare_pdb("MYBOX.pdb", 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