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test
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Patrick Li committed Jun 18, 2024
1 parent 8348f6e commit 87f00d3
Showing 1 changed file with 5 additions and 5 deletions.
10 changes: 5 additions & 5 deletions autosolvate/tests/test_multicomponent.py
Original file line number Diff line number Diff line change
Expand Up @@ -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"))

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