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fixed debug
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Patrick Li committed Jun 18, 2024
1 parent cae4238 commit 04ce6cd
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions autosolvate/tests/test_multicomponent.py
Original file line number Diff line number Diff line change
Expand Up @@ -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"))

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