pep8 fixed

MDAnalysis · Jun 21, 2021 · c7f3276 · c7f3276
1 parent d9ca9af
commit c7f3276
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Showing 3 changed files with 167 additions and 154 deletions.
diff --git a/membrane_curvature/lib/mods.py b/membrane_curvature/lib/mods.py
@@ -30,9 +30,12 @@ def def_all_beads(lipid_types, leaflets, head_list, topology):
     print('==== Lipid types in membrane ==== ')
     for lt in lipid_types:
         print('====>', lt)
-        dic_all_beads['upper'][lt] = topology.select('resname ' + lt + ' and index ' + str(head_list[0]) + ' to ' + str(head_list[1]) + ' and name PO4').astype(int).tolist()
-        dic_all_beads['lower'][lt] = topology.select('resname ' + lt + ' and index ' + str(head_list[1] + 1) + ' to ' + str(head_list[2]) + ' and name PO4').astype(int).tolist()
-
+        dic_all_beads['upper'][lt] = topology.select(
+            'resname ' + lt + ' and index ' + str(head_list[0])
+            + ' to ' + str(head_list[1]) + ' and name PO4').astype(int).tolist()
+        dic_all_beads['lower'][lt] = topology.select(
+            'resname ' + lt + ' and index ' + str(head_list[1] + 1)
+            + ' to ' + str(head_list[2]) + ' and name PO4').astype(int).tolist()
         print("upper", len(dic_all_beads['upper'][lt]))
         print("lower", len(dic_all_beads['lower'][lt]))
 

diff --git a/membrane_curvature/tests/datafiles.py b/membrane_curvature/tests/datafiles.py
@@ -10,13 +10,14 @@
 """
 
 __all__ = [
-    # From lower to higher complexity 
-    "GRO_PO4_SMALL", # Gromacs file of PO4 beads in POPC POPE membrane with 10 lipids
-    "GRO_PO4_INVERTED_ID", # Gromacs test file of PO4 beacs in POPC POPE membrane with 10 lipids with indexes inverted.
-    "GRO_PO4_MED", # Gromacs file of PO4 beads in POPC POPE membrane with 25 lipids
-    "GRO_PO4_BIG", # Gromacs file of PO4 beads in POPC POPE membrane with 50 lipids
-    "GRO_PO4", # Gromacs file of PO4 beads in POPC POPE membrane with 914 lipids
-    "XTC_PO4", # Gromacs trajectory of GRO_PO4 
+    # From lower to higher complexity
+    "GRO_PO4_SMALL",  # Gromacs file of PO4 beads in POPC POPE membrane with 10 lipids
+    # Gromacs test file of PO4 beacs in POPC POPE membrane with 10 lipids with indexes inverted.
+    "GRO_PO4_INVERTED_ID",
+    "GRO_PO4_MED",  # Gromacs file of PO4 beads in POPC POPE membrane with 25 lipids
+    "GRO_PO4_BIG",  # Gromacs file of PO4 beads in POPC POPE membrane with 50 lipids
+    "GRO_PO4",  # Gromacs file of PO4 beads in POPC POPE membrane with 914 lipids
+    "XTC_PO4",  # Gromacs trajectory of GRO_PO4
     "GRO_MEMBRANE_PROTEIN",  # Gromacs file of POPC POPE CHOL membrane
     "XTC_MEMBRANE_PROTEIN",  # Gromacs trajectory of 10 frames.
 ]
@@ -29,10 +30,10 @@
 # PO4 beads only
 GRO_PO4 = resource_filename(__name__, '../data/test_curvature_po4_only.gro')
 XTC_PO4 = resource_filename(__name__, '../data/test_curvature_po4_only.xtc')
-## Smaler systems derived from
+# Smaler systems derived from
 GRO_PO4_SMALL = resource_filename(__name__, '../data/test_po4_small.gro')
 GRO_PO4_MED = resource_filename(__name__, '../data/test_po4_med.gro')
 GRO_PO4_BIG = resource_filename(__name__, '../data/test_po4_big.gro')
-## Inverted indexes
+# Inverted indexes
 GRO_PO4_INVERTED_ID = resource_filename(__name__, '../data/test_po4_inverted_indexes.gro')
 del resource_filename