add __slots__ to all classes

mordred/ABCIndex.py

@@ -13,6 +13,8 @@
 
 
 class ABCIndexBase(Descriptor):
+    __slots__ = ()
+
     @classmethod
     def preset(cls):
         yield cls()
@@ -31,6 +33,7 @@ def __str__(self):
 class ABCIndex(ABCIndexBase):
     r"""atom-bond connectivity indez descriptor.
     """
+    __slots__ = ()
 
     @staticmethod
     def _each_bond(bond):
@@ -51,6 +54,7 @@ def calculate(self):
 class ABCGGIndex(ABCIndexBase):
     r"""Graovac-Ghorbani atom-bond connectivity index descriptor.
     """
+    __slots__ = ()
 
     def dependencies(self):
         return {'D': DistanceMatrix(self.explicit_hydrogens)}

mordred/AcidBase.py

@@ -9,6 +9,8 @@
 
 
 class SmartsCountBase(Descriptor):
+    __slots__ = '_mol',
+
     @classmethod
     def preset(cls):
         yield cls()

mordred/AdjacencyMatrix.py

@@ -12,7 +12,7 @@ class AdjacencyMatrix(Descriptor):
     :type type: :py:class:`str`
     :param type: :ref:`matrix_aggregating_methods`
     """
-
+    __slots__ = ('_type',)
     explicit_hydrogens = False
 
     @classmethod
@@ -22,8 +22,6 @@ def preset(cls):
     def __str__(self):
         return '{}_A'.format(self._type.__name__)
 
-    __slots__ = ('_type',)
-
     def as_key(self):
         return self.__class__, (self._type,)
 

mordred/Aromatic.py

@@ -7,6 +7,8 @@
 
 
 class AromaticBase(Descriptor):
+    __slots__ = ()
+
     @classmethod
     def preset(cls):
         yield cls()
@@ -22,9 +24,7 @@ def as_key(self):
 
 class AromaticAtomsCount(AromaticBase):
     r"""aromatic atoms count descriptor."""
-
     __slots__ = ()
-
     _name = 'nAromAtom'
 
     def calculate(self):
@@ -37,9 +37,7 @@ def calculate(self):
 
 class AromaticBondsCount(AromaticBase):
     r"""aromatic bonds count descriptor."""
-
     __slots__ = ()
-
     _name = 'nAromBond'
 
     def calculate(self):

mordred/AtomCount.py

@@ -22,6 +22,7 @@ class AtomCount(Descriptor):
         * 'X' - all halogen
         * element symbol
     """
+    __slots__ = ('_type',)
 
     @classmethod
     def preset(cls):
@@ -38,8 +39,6 @@ def explicit_hydrogens(self):
     def __str__(self):
         return 'n' + self._type
 
-    __slots__ = ('_type',)
-
     def as_key(self):
         return self.__class__, (self._type,)
 

mordred/Autocorrelation.py

@@ -9,6 +9,7 @@
 
 
 class AutocorrelationBase(Descriptor):
+    __slots__ = '_prop', '_order'
     explicit_hydrogens = True
 
     def __str__(self):
@@ -57,6 +58,8 @@ def _AATSC(self):
 
 
 class AutocorrelationProp(AutocorrelationBase):
+    __slots__ = ()
+
     def as_key(self):
         return self.__class__, (self._prop,)
 
@@ -67,6 +70,8 @@ def __init__(self, prop):
 
 
 class AutocorrelationOrder(AutocorrelationBase):
+    __slots__ = ()
+
     def _prop(self):
         pass
 
@@ -80,7 +85,7 @@ def __init__(self, order):
 
 
 class CAVec(AutocorrelationProp):
-    __slots__ = ('_prop',)
+    __slots__ = ()
     _order = 0
 
     def dependencies(self):
@@ -91,7 +96,7 @@ def calculate(self, avec):
 
 
 class GMat(AutocorrelationOrder):
-    __slots__ = ('_order',)
+    __slots__ = ()
 
     def dependencies(self):
         return {'dmat': DistanceMatrix(self.explicit_hydrogens)}
@@ -101,7 +106,7 @@ def calculate(self, dmat):
 
 
 class GSum(AutocorrelationOrder):
-    __slots__ = ('_order',)
+    __slots__ = ()
 
     def dependencies(self):
         return {'gmat': GMat(self._order)}
@@ -149,7 +154,7 @@ class ATS(AutocorrelationBase):
     :returns: NaN when any properties are NaN
     """
 
-    __slots__ = ('_order', '_prop',)
+    __slots__ = ()
 
     @classmethod
     def preset(cls):
@@ -187,7 +192,7 @@ class AATS(ATS):
         * some properties are NaN
     """
 
-    __slots__ = ('_order', '_prop',)
+    __slots__ = ()
 
     def dependencies(self):
         return {'ATS': self._ATS, 'gsum': self._gsum}
@@ -210,7 +215,7 @@ class ATSC(AutocorrelationBase):
     :returns: NaN when any properties are NaN
     """
 
-    __slots__ = ('_order', '_prop',)
+    __slots__ = ()
 
     @classmethod
     def preset(cls):
@@ -248,7 +253,7 @@ class AATSC(ATSC):
         * any properties are NaN
     """
 
-    __slots__ = ('_order', '_prop',)
+    __slots__ = ()
 
     def dependencies(self):
         return {'ATSC': self._ATSC, 'gsum': self._gsum}
@@ -277,7 +282,7 @@ class MATS(AutocorrelationBase):
         * denominator = 0
     """
 
-    __slots__ = ('_order', '_prop',)
+    __slots__ = ()
 
     @classmethod
     def preset(cls):
@@ -311,7 +316,7 @@ class GATS(MATS):
         * denominator = 0
     """
 
-    __slots__ = ('_order', '_prop',)
+    __slots__ = ()
 
     def dependencies(self):
         return {

mordred/BCUT.py

@@ -8,6 +8,7 @@
 
 
 class BCUTBase(Descriptor):
+    __slots__ = ()
     explicit_hydrogens = False
     require_connected = True
 
@@ -84,6 +85,7 @@ class BCUT(BCUTBase):
         * any atomic properties are NaN
         * :math:`\left| nth \right| > A`
     """
+    __slots__ = ('_prop', '_nth',)
 
     @classmethod
     def preset(cls):
@@ -99,8 +101,6 @@ def __str__(self):
         else:
             return 'BCUT{}-{}h'.format(self._prop, self._nth + 1)
 
-    __slots__ = ('_prop', '_nth',)
-
     def as_key(self):
         return self.__class__, (self._prop, self._nth)
 

mordred/BalabanJ.py

@@ -9,6 +9,7 @@
 
 class BalabanJ(Descriptor):
     r"""Balaban's J index descriptor(rdkit wrapper)."""
+    __slots__ = ()
 
     explicit_hydrogens = False
 

mordred/BaryszMatrix.py

@@ -64,6 +64,7 @@ class BaryszMatrix(BaryszMatrixBase):
 
     :returns: NaN when any properties are NaN
     """
+    __slots__ = ('_prop', '_type',)
 
     @classmethod
     def preset(cls):
@@ -72,8 +73,6 @@ def preset(cls):
     def __str__(self):
         return '{}_Dz{}'.format(self._type.__name__, self._prop)
 
-    __slots__ = ('_prop', '_type',)
-
     def as_key(self):
         return self.__class__, (self._prop, self._type)
 

mordred/BertzCT.py

@@ -9,7 +9,7 @@
 
 class BertzCT(Descriptor):
     r"""Bertz CT descriptor(rdkit wrapper)."""
-
+    __slots__ = ()
     explicit_hydrogens = False
 
     @classmethod

mordred/BondCount.py

@@ -11,6 +11,8 @@
 
 
 class BondType(IntEnum):
+    __slots__ = ()
+
     any = 1
     heavy = 2
 
@@ -52,6 +54,7 @@ class BondCount(Descriptor):
     :type kekulize: bool
     :param kekulize: use kekulized structure
     """
+    __slots__ = ('_type', '_bond_name', '_check_bond', 'kekulize',)
 
     bond_types = tuple(b.name for b in BondType)
 
@@ -72,8 +75,6 @@ def __str__(self):
     def explicit_hydrogens(self):
         return self._type in (BondType.any, BondType.single)
 
-    __slots__ = ('_type', '_bond_name', '_check_bond', 'kekulize',)
-
     def as_key(self):
         return self.__class__, (self._type, self.kekulize)