From 25648327cecdd3536f8c246aabf02c89ee118504 Mon Sep 17 00:00:00 2001
From: Nathan Baker <nathanandrewbaker@gmail.com>
Date: Sun, 24 May 2020 08:19:32 -0700
Subject: [PATCH] De-lint determinant.py.

---
 propka/determinant.py  | 34 +++++++++++++++++++++-------------
 propka/determinants.py |  4 ++++
 2 files changed, 25 insertions(+), 13 deletions(-)

diff --git a/propka/determinant.py b/propka/determinant.py
index 5085ca1..2b29d08 100644
--- a/propka/determinant.py
+++ b/propka/determinant.py
@@ -1,29 +1,37 @@
+"""Holds the Determinant class
+
+TODO - it is confusing to have both `determinant.py` and `determinants.py`.
+Should these be merged?
+"""
 
-from __future__ import division
-from __future__ import print_function
 
 class Determinant:
-    """
-        Determinant class - set up for later structurization
+    """Determinant class.
+
+    Appears to be a container for storing information and values about
+    groups that interact to influence titration states.
+
+    TODO - figure out what this class does.
     """
 
     def __init__(self, group, value):
-        """
-        Contructer of determinant object - simple, but helps in creating structure!
+        """Initialize the object.
+
+        Args:
+            group:  group associated with Determinant object
+            value:  value to assign to group
         """
         self.group = group
         self.label = group.label
         self.value = value
 
-        return
-
     def add(self, value):
-        """
-        adding a value to determinant
+        """Increment determinant value.
+
+        Args:
+            value:  value to add to determinant
         """
         self.value += value
 
-        return
-    
     def __str__(self):
-        return '%s: %8.2f'%(self.label,self.value)
+        return '%s: %8.2f' % (self.label, self.value)
diff --git a/propka/determinants.py b/propka/determinants.py
index 658905a..52da557 100644
--- a/propka/determinants.py
+++ b/propka/determinants.py
@@ -9,6 +9,10 @@ import propka.calculations
 from propka.determinant import Determinant
 
 
+# TODO - it is confusing to have both `determinant.py` and `determinants.py`.
+# Should these be merged?
+
+
 def setDeterminants(propka_groups, version=None, options=None):
     """
     adding side-chain and coulomb determinants/perturbations to all residues - note, backbone determinants are set separately