Update assemble.py

globus-labs · Dec 8, 2023 · f4c149d · f4c149d
1 parent dafe00a
commit f4c149d
Showing 1 changed file with 5 additions and 5 deletions.
diff --git a/mofa/assemble.py b/mofa/assemble.py
@@ -436,11 +436,11 @@ def assemble_PillarPaddle_pcuMOF_multiProc(inputDict):
 def testPillarMOF():
     linker_base = "inferred_linkers/molGAN-batch512-Linkers"
     linker_folders = os.listdir(linker_base)
-    chosen_linker_folders = [os.path.join(linker_base, x) for x in linker_folders[0:3]]
-
-    COOLinkers = [os.path.join(chosen_linker_folders[0], y) for y in os.listdir(chosen_linker_folders[0]) if y.endswith(".xyz") and y.startswith(
-        "linker-COO")] + [os.path.join(chosen_linker_folders[1], y) for y in os.listdir(chosen_linker_folders[1]) if y.endswith(".xyz") and y.startswith("linker-COO")]
-    PillarLinker = [os.path.join(chosen_linker_folders[2], y) for y in os.listdir(chosen_linker_folders[2])
+    # chosen_linker_folders 
+    clf = [os.path.join(linker_base, x) for x in linker_folders[0:3]]
+    COOLinkers = [os.path.join(clf[0], y) for y in os.listdir(clf[0]) if y.endswith(".xyz") and y.startswith(
+        "linker-COO")] + [os.path.join(clf[1], y) for y in os.listdir(clf[1]) if y.endswith(".xyz") and y.startswith("linker-COO")]
+    PillarLinker = [os.path.join(clf[2], y) for y in os.listdir(clf[2])
                     if y.endswith(".xyz") and y.startswith("linker-") and "COO" not in y][0]
 
     nodePath = "nodes/zinc_paddle_pillar.xyz"