Fixed flake8 problems.

Signed-off-by: Timothy Click <tclick@alumni.ou.edu>
tclick · Jul 25, 2019 · cdb0faf · cdb0faf
1 parent 4f28c03
commit cdb0faf
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Showing 3 changed files with 12 additions and 10 deletions.
diff --git a/src/fluctmatch/commands/cmd_table_convert.py b/src/fluctmatch/commands/cmd_table_convert.py
@@ -141,8 +141,8 @@ def cli(logfile, top1, top2, coord, table, outfile):
     resnI = []
     resnJ = []
     for segidI, resI, segidJ, resJ in constants[columns].values:
-        resnI.append(resnames.loc[(segidI, resI),])
-        resnJ.append(resnames.loc[(segidJ, resJ),])
+        resnI.append(resnames.loc[(segidI, resI)])
+        resnJ.append(resnames.loc[(segidJ, resJ)])
     constants["resnI"] = pd.concat(resnI).values
     constants["resnJ"] = pd.concat(resnJ).values
 

diff --git a/src/fluctmatch/coordinates/COR.py b/src/fluctmatch/coordinates/COR.py
@@ -213,9 +213,11 @@ def write(self, selection: Union[mda.Universe, mda.AtomGroup],
             # Write all atoms
             current_resid: int = 1
             resids: List[int] = attrs["resids"]
-            for i, pos, resname, name, chainID, resid, tempfactor in zip(
-                range(n_atoms), coor, attrs["resnames"], attrs["names"],
-                attrs["chainIDs"], attrs["resids"], attrs["tempfactors"]):
+            for (i, pos, resname, name, chainID,
+                 resid, tempfactor) in zip(range(n_atoms), coor,
+                                           attrs["resnames"], attrs["names"],
+                                           attrs["chainIDs"], attrs["resids"],
+                                           attrs["tempfactors"]):
                 if not i == 0 and resids[i] != resids[i - 1]:
                     current_resid += 1
 

diff --git a/src/fluctmatch/intcor/utils.py b/src/fluctmatch/intcor/utils.py
@@ -108,11 +108,11 @@ def create_empty_table(universe: Union[mda.Universe, mda.AtomGroup]
             zeros: pd.DataFrame = pd.DataFrame(np.zeros((n_angles, 5),
                                                         dtype=np.float))
             cols: pd.DataFrame = pd.DataFrame([
-                atom1.segids, atom1.resnums, atom1.names, atom2.segids,
-                atom2.resnums, atom2.names, atom3.segids, atom3.resnums,
-                atom3.names, ["??", ] * n_angles, ["??", ] * n_angles,
-                             ["??", ] * n_angles
-            ]).T
+                atom1.segids, atom1.resnums, atom1.names,
+                atom2.segids, atom2.resnums, atom2.names,
+                atom3.segids, atom3.resnums, atom3.names,
+                ["??", ] * n_angles, ["??", ] * n_angles,
+                ["??", ] * n_angles]).T
             table: pd.DataFrame = pd.concat([table, cols, zeros], axis=1)
     else:
         n_dihedrals: int = len(dihedrals)