cleanup codes

mordred-descriptor · Jan 15, 2016 · 2475021 · 2475021
1 parent 9206f65
commit 2475021
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Showing 5 changed files with 6 additions and 34 deletions.
diff --git a/mordred/_all.py b/mordred/_all.py
diff --git a/mordred/_aromatic.py b/mordred/_aromatic.py
@@ -27,6 +27,3 @@ class AromaticBondsCount(Descriptor):
 
     def calculate(self, mol):
         return sum(1 for b in mol.GetBonds() if b.GetIsAromatic())
-
-_descriptors = [AromaticAtomsCount, AromaticBondsCount]
-__all__ = [d.__name__ for d in _descriptors]
diff --git a/mordred/_base.py b/mordred/_base.py
@@ -19,11 +19,6 @@
     from sys import maxint as maxsize
 
 
-__all__ =\
-    'Calculator',\
-    'Descriptor',
-
-
 class Key(object):
     __slots__ = 'cls', 'args'
 

diff --git a/mordred/_bcut.py b/mordred/_bcut.py
@@ -67,7 +67,11 @@ class BCUT(BurdenMatrixDescriptor):
 
     @classmethod
     def preset(cls):
-        return (cls(a, 1, h) for a in _atomic_property.get_properties(istate=True) for h in [False, True])
+        return (
+            cls(a, 1, h)
+            for a in _atomic_property.get_properties(istate=True)
+            for h in [False, True]
+        )
 
     @property
     def descriptor_name(self):

diff --git a/tests/test_WildmanCrippen.py b/tests/test_WildmanCrippen.py
@@ -2,6 +2,7 @@
 from rdkit import Chem
 from numpy.testing import assert_almost_equal
 
+
 def test_WildmanCrippen1():
     mol = Chem.MolFromSmiles('Oc1ccccc1OC')
     yield assert_almost_equal, LogP('LogP')(mol), 1.4, 2