updated paths to test files

Author: stefdoerr

tests/test_molecule.py

@@ -574,7 +574,7 @@ def _test_templatingNonStandardResidues():
     test_home = os.path.join(
         curr_dir, "test_systemprepare", "test-nonstandard-residues"
     )
-    mol = Molecule(os.path.join(test_home, "1A4W.pdb"))
+    mol = Molecule(os.path.join(test_home, "1A4W", "1A4W.pdb"))
     mol.templateResidueFromSmiles(
         "resname TYS",
         "c1cc(ccc1C[C@@H](CO)N)OS(=O)(=O)O",

tests/test_systemprepare.py

@@ -224,7 +224,7 @@ def _test_nonstandard_residue_hard_ignore_ns():
     test_home = os.path.join(
         curr_dir, "test_systemprepare", "test-nonstandard-residues"
     )
-    mol = Molecule(os.path.join(test_home, "5VBL.pdb"))
+    mol = Molecule(os.path.join(test_home, "5VBL", "5VBL.pdb"))
 
     pmol, df = systemPrepare(
         mol,
@@ -234,8 +234,8 @@ def _test_nonstandard_residue_hard_ignore_ns():
         ignore_ns=True,
     )
     _compare_results(
-        os.path.join(test_home, "5VBL_prepared_ignore_ns.pdb"),
-        os.path.join(test_home, "5VBL_prepared_ignore_ns.csv"),
+        os.path.join(test_home, "5VBL", "5VBL_prepared_ignore_ns.pdb"),
+        os.path.join(test_home, "5VBL", "5VBL_prepared_ignore_ns.csv"),
         pmol,
         df,
     )