reST fixes in workflows/dihedrals.py

Becksteinlab · Oct 10, 2024 · 2cc24d7 · 2cc24d7
1 parent 3d45100
commit 2cc24d7
Showing 1 changed file with 19 additions and 19 deletions.
diff --git a/mdpow/workflows/dihedrals.py b/mdpow/workflows/dihedrals.py
@@ -511,10 +511,12 @@ def periodic_angle_padding(df, padding=45):
 def dihedral_violins(df, width=0.9, solvents=SOLVENTS_DEFAULT, plot_title=None):
     """Plots kernel density estimates (KDE) of dihedral angle frequencies for
     one dihedral atom group as violin plots, using as input the augmented
-    :class:`pandas.DataFrame` from :func:`~mdpow.workflows.dihedrals.periodic_angle_padding`.
+    :class:`pandas.DataFrame` from
+    :func:`~mdpow.workflows.dihedrals.periodic_angle_padding`.
 
     Output is converted to SVG by :func:`~mdpow.workflows.dihedrals.build_svg`
-    and final output is saved as PDF by :func:`~mdpow.workflows.dihedrals.plot_dihedral_violins`
+    and final output is saved as PDF by
+    :func:`~mdpow.workflows.dihedrals.plot_dihedral_violins`
 
     :keywords:
 
@@ -523,13 +525,13 @@ def dihedral_violins(df, width=0.9, solvents=SOLVENTS_DEFAULT, plot_title=None):
         :func:`~mdpow.workflows.dihedrals.periodic_angle_padding`
 
     *width*
-        width of the violin element (>1 overlaps)
-        default: 0.9
+        width of the violin element (>1 overlaps); default: 0.9
 
     *solvents*
         The default solvents are documented under :data:`SOLVENTS_DEFAULT`.
-        Normally takes a two-tuple, but analysis is compatible with single solvent selections.
-        Single solvent analyses will result in a figure with fully filled violins for the single solvent.
+        Normally takes a two-tuple, but analysis is compatible with single
+        solvent selections.  Single solvent analyses will result in a figure
+        with fully filled violins for the single solvent.
 
     *plot_title*
         generated by :func:`~mdpow.workflows.dihedrals.build_svg` using
@@ -619,24 +621,22 @@ def build_svg(
     solvents=SOLVENTS_DEFAULT,
     width=0.9,
 ):
-    """Converts and combines figure components into an
-    SVG object to be converted and saved as a publication
-    quality PDF.
+    """Converts and combines figure components into an SVG object to be
+    converted and saved as a publication quality PDF.
 
     :keywords:
 
     *mol*
         :class:`rdkit.Chem.rdchem.Mol` object converted from `solute`
 
     *molname*
-        molecule name to be used for labelling
-        plots, if different from `resname`
-        (in this case, carried over from an upstream
-         decision between the two)
+        molecule name to be used for labelling plots, if different from
+        `resname` (in this case, carried over from an upstream decision between
+        the two)
 
     *name_index_pairs*
-        dictionary with key-value pair for dihedral atom group,
-        atom indices, and bond indices
+        dictionary with key-value pair for dihedral atom group, atom indices,
+        and bond indices
 
         .. seealso:: :func:`~mdpow.workflows.dihedrals.get_paired_indices`
 
@@ -647,12 +647,12 @@ def build_svg(
 
     *solvents*
         The default solvents are documented under :data:`SOLVENTS_DEFAULT`.
-        Normally takes a two-tuple, but analysis is compatible with single solvent selections.
-        Single solvent analyses will result in a figure with fully filled violins for the single solvent.
+        Normally takes a two-tuple, but analysis is compatible with single
+        solvent selections.  Single solvent analyses will result in a figure
+        with fully filled violins for the single solvent.
 
     *width*
-        width of the violin element (>1 overlaps)
-        default: 0.9
+        width of the violin element (>1 overlaps); default: 0.9
 
     :returns: