debug

Liu-group · Jun 19, 2024 · 8b038ae · 8b038ae
1 parent 2e70aa6
commit 8b038ae
Showing 1 changed file with 5 additions and 0 deletions.
diff --git a/autosolvate/tests/test_multicomponent.py b/autosolvate/tests/test_multicomponent.py
@@ -117,6 +117,11 @@ def test_mixture_builder():
     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("\n\n\n")
+    #print the content of MYBOX.pdb 
+    with open("MYBOX.pdb", "r") as f: 
+        print(f.read()) 
+    print("\n\n\n")
     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"))