debugging test case

Liu-group · Jun 13, 2024 · 9abe82d · 9abe82d
1 parent 623343a
commit 9abe82d
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Showing 11 changed files with 3 additions and 2 deletions.
diff --git a/autosolvate/tests/test_AutoMCPB.py → autosolvate/tests/archive/test_AutoMCPB.py b/autosolvate/tests/test_AutoMCPB.py → autosolvate/tests/archive/test_AutoMCPB.py
diff --git a/autosolvate/tests/test_advanced_example_1.py → .../tests/archive/test_advanced_example_1.py b/autosolvate/tests/test_advanced_example_1.py → .../tests/archive/test_advanced_example_1.py
diff --git a/autosolvate/tests/test_autosolvate.py → ...solvate/tests/archive/test_autosolvate.py b/autosolvate/tests/test_autosolvate.py → ...solvate/tests/archive/test_autosolvate.py
diff --git a/autosolvate/tests/test_boxgen.py → autosolvate/tests/archive/test_boxgen.py b/autosolvate/tests/test_boxgen.py → autosolvate/tests/archive/test_boxgen.py
diff --git a/autosolvate/tests/test_boxgen_metal.py → ...olvate/tests/archive/test_boxgen_metal.py b/autosolvate/tests/test_boxgen_metal.py → ...olvate/tests/archive/test_boxgen_metal.py
diff --git a/...te/tests/test_boxgen_naphthalene_water.py → .../archive/test_boxgen_naphthalene_water.py b/...te/tests/test_boxgen_naphthalene_water.py → .../archive/test_boxgen_naphthalene_water.py
diff --git a/autosolvate/tests/test_clustergen.py → autosolvate/tests/archive/test_clustergen.py b/autosolvate/tests/test_clustergen.py → autosolvate/tests/archive/test_clustergen.py
diff --git a/autosolvate/tests/test_example_4.py → autosolvate/tests/archive/test_example_4.py b/autosolvate/tests/test_example_4.py → autosolvate/tests/archive/test_example_4.py
diff --git a/autosolvate/tests/test_testcase.py → autosolvate/tests/archive/test_testcase.py b/autosolvate/tests/test_testcase.py → autosolvate/tests/archive/test_testcase.py
diff --git a/autosolvate/tests/test_tmc_boxgen.py → autosolvate/tests/archive/test_tmc_boxgen.py b/autosolvate/tests/test_tmc_boxgen.py → autosolvate/tests/archive/test_tmc_boxgen.py
diff --git a/autosolvate/tests/test_multicomponent.py b/autosolvate/tests/test_multicomponent.py
@@ -109,8 +109,9 @@ def test_mixture_builder():
     for res in ("naphthalene_neutral", "acetonitrile", "water"):
         path_exist *= os.path.exists(f"{res}.pdb")
         path_exist *= os.path.exists(f"{res}.lib")
-        path_exist *= os.path.exists(f"{res}.frcmod") 
+        path_exist *= os.path.exists(f"{res}.frcmod")
+        print('DEBUG', res)
+        assert path_exist 
 
-    assert path_exist
     assert hp.compare_pdb("MYBOX.pdb", hp.get_reference_dir(f"multicomponent/MYBOX.pdb"))
     assert hp.compare_inpcrd_prmtop("MYBOX", hp.get_reference_dir(f"multicomponent/MYBOX"))