Merge pull request #192 from VlachosGroup/hb_dev

PEP8 formatting changes

AIMSim/ops/clustering.py

@@ -14,8 +14,8 @@ class Cluster:
                 for the K-Medoids algorithm [1]. This method is useful
                 when the molecular descriptors are continuous / Euclidean
                 since it relies on the existence of a sensible medoid.
-            'complete_linkage', 'complete': complete linkage agglomerative
-                hierarchical clustering [2].
+            'complete_linkage', 'complete':
+                Complete linkage agglomerative hierarchical clustering [2].
             'average_linkage', 'average':
                 average linkage agglomerative hierarchical clustering [2].
             'single_linkage', 'single':

docs/conf.py

@@ -13,20 +13,21 @@
 import os
 import codecs
 import sys
-sys.path.insert(0, os.path.abspath('.'))
-sys.path.insert(0, os.path.abspath('..'))
-
 
-# -- Project information -----------------------------------------------------
+import AIMSim
 
 
-import AIMSim
+sys.path.insert(0, os.path.abspath('.'))
+sys.path.insert(0, os.path.abspath('..'))
 
 
+# -- Project information -----------------------------------------------------
 project = 'AIMSim'
 copyright = '2022, Jackson Burns, Himaghna Bhattacharjee'
 author = 'Jackson Burns, Himaghna Bhattacharjee'
 # The full version, including alpha/beta/rc tags
+
+
 def read(rel_path):
     """
     """
@@ -55,7 +56,7 @@ def skip(app, what, name, obj, would_skip, options):
 def setup(app):
     app.connect("autodoc-skip-member", skip)
 
-    
+
 release = get_version("../AIMSim/__init__.py")