Run isort on the code

chemfiles/__init__.py

@@ -1,15 +1,20 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
 
-from .misc import ChemfilesError, set_warnings_callback, add_configuration
-from .misc import formats_list, guess_format
 from .atom import Atom
-from .residue import Residue
-from .topology import Topology, BondOrder
-from .cell import UnitCell, CellShape
+from .cell import CellShape, UnitCell
 from .frame import Frame
-from .trajectory import Trajectory, MemoryTrajectory
-from .selection import Selection
+from .misc import (
+    ChemfilesError,
+    add_configuration,
+    formats_list,
+    guess_format,
+    set_warnings_callback,
+)
 from .property import Property
+from .residue import Residue
+from .selection import Selection
+from .topology import BondOrder, Topology
+from .trajectory import MemoryTrajectory, Trajectory
 
 __version__ = "0.10.2"

chemfiles/atom.py

@@ -1,10 +1,11 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-from ctypes import c_double, c_uint64, c_char_p
 
-from .utils import CxxPointer, _call_with_growing_buffer, string_type
+from ctypes import c_char_p, c_double, c_uint64
+
 from .misc import ChemfilesError
 from .property import Property
+from .utils import CxxPointer, _call_with_growing_buffer, string_type
 
 
 class Atom(CxxPointer):

chemfiles/cell.py

@@ -1,11 +1,13 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-from ctypes import c_double, ARRAY
+
+from ctypes import ARRAY, c_double
 from enum import IntEnum
+
 import numpy as np
 
-from .utils import CxxPointer, ChemfilesError
 from ._c_api import chfl_cellshape, chfl_vector3d
+from .utils import ChemfilesError, CxxPointer
 
 
 class CellShape(IntEnum):

chemfiles/frame.py

@@ -1,15 +1,17 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
+
+from ctypes import POINTER, c_bool, c_char_p, c_double, c_uint64
+
 import numpy as np
-from ctypes import c_uint64, c_bool, c_double, c_char_p, POINTER
 
-from .utils import CxxPointer, string_type
-from .misc import ChemfilesError
-from ._c_api import chfl_vector3d, chfl_bond_order
+from ._c_api import chfl_bond_order, chfl_vector3d
 from .atom import Atom
-from .topology import Topology
 from .cell import UnitCell
+from .misc import ChemfilesError
 from .property import Property
+from .topology import Topology
+from .utils import CxxPointer, string_type
 
 
 class FrameAtoms(object):

chemfiles/misc.py

@@ -1,8 +1,8 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-import warnings
 
-from ctypes import c_uint64, POINTER, create_string_buffer
+import warnings
+from ctypes import POINTER, c_uint64, create_string_buffer
 
 from ._c_lib import _get_c_library
 

chemfiles/property.py

@@ -1,8 +1,10 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
+
 import sys
+from ctypes import c_bool, c_double
+
 import numpy as np
-from ctypes import c_double, c_bool
 
 from ._c_api import chfl_property_kind, chfl_vector3d
 from .misc import ChemfilesError

chemfiles/residue.py

@@ -1,11 +1,13 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-from ctypes import c_bool, c_int64, c_uint64, c_char_p
+
+from ctypes import c_bool, c_char_p, c_int64, c_uint64
+
 import numpy as np
 
-from .utils import CxxPointer, _call_with_growing_buffer, string_type
 from .misc import ChemfilesError
 from .property import Property
+from .utils import CxxPointer, _call_with_growing_buffer, string_type
 
 
 class ResidueAtoms(object):

chemfiles/selection.py

@@ -2,10 +2,11 @@
 from __future__ import absolute_import, print_function, unicode_literals
 
 from ctypes import c_uint64
+
 import numpy as np
 
-from .utils import CxxPointer, _call_with_growing_buffer
 from ._c_api import chfl_match
+from .utils import CxxPointer, _call_with_growing_buffer
 
 
 class Selection(CxxPointer):

chemfiles/topology.py

@@ -1,13 +1,15 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-from ctypes import c_uint64, c_bool
+
+from ctypes import c_bool, c_uint64
 from enum import IntEnum
+
 import numpy as np
 
-from .utils import CxxPointer
 from ._c_api import chfl_bond_order
 from .atom import Atom
 from .residue import Residue
+from .utils import CxxPointer
 
 
 class BondOrder(IntEnum):

chemfiles/trajectory.py

@@ -1,11 +1,12 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-from ctypes import c_uint64, c_char_p
+
 import sys
+from ctypes import c_char_p, c_uint64
 
-from .utils import CxxPointer, _call_with_growing_buffer
 from .frame import Frame, Topology
 from .misc import ChemfilesError
+from .utils import CxxPointer, _call_with_growing_buffer
 
 # Python 2 compatibility
 if sys.hexversion >= 0x03000000:

chemfiles/utils.py

@@ -1,12 +1,12 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
+
 import sys
-from ctypes import create_string_buffer, c_uint64
+from ctypes import c_uint64, create_string_buffer
 
 from ._c_lib import _get_c_library
 from .misc import ChemfilesError, _last_error
 
-
 if sys.version_info >= (3, 0):
     string_type = str
 else:

tests/atom.py

@@ -1,11 +1,13 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-import unittest
+
 import copy
+import unittest
 
-from chemfiles import Atom, ChemfilesError
 from _utils import remove_warnings
 
+from chemfiles import Atom, ChemfilesError
+
 
 class TestAtom(unittest.TestCase):
     def test_repr(self):

tests/cell.py

@@ -1,12 +1,13 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-import unittest
+
 import copy
+import unittest
 
-from chemfiles import UnitCell, CellShape
-from chemfiles import ChemfilesError
 from _utils import remove_warnings
 
+from chemfiles import CellShape, ChemfilesError, UnitCell
+
 
 class TestUnitCell(unittest.TestCase):
     def test_repr(self):

tests/examples.py

@@ -1,11 +1,12 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-import unittest
-import tempfile
-import shutil
+
 import os
+import shutil
+import tempfile
+import unittest
 
-from chemfiles import Trajectory, Frame, Atom
+from chemfiles import Atom, Frame, Trajectory
 
 ROOT = os.path.dirname(__file__)
 

tests/frame.py

@@ -1,14 +1,24 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-import unittest
+
 import copy
 import math
-import numpy as np
+import unittest
 
-from chemfiles import Frame, UnitCell, Topology, Atom, Residue, ChemfilesError
-from chemfiles import BondOrder, CellShape
+import numpy as np
 from _utils import remove_warnings
 
+from chemfiles import (
+    Atom,
+    BondOrder,
+    CellShape,
+    ChemfilesError,
+    Frame,
+    Residue,
+    Topology,
+    UnitCell,
+)
+
 
 class TestFrame(unittest.TestCase):
     def test_repr(self):

tests/misc.py

@@ -1,10 +1,11 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
+
 import unittest
 import warnings
 
 import chemfiles
-from chemfiles import Trajectory, ChemfilesError
+from chemfiles import ChemfilesError, Trajectory
 
 
 class RemoveChemfilesWarnings(object):

tests/property.py

@@ -1,10 +1,12 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-import unittest
+
 import copy
+import unittest
+
 import numpy as np
 
-from chemfiles import Property, ChemfilesError
+from chemfiles import ChemfilesError, Property
 
 
 class TestProperty(unittest.TestCase):

tests/residue.py

@@ -1,12 +1,14 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-import unittest
+
 import copy
-import numpy as np
+import unittest
 
-from chemfiles import Residue, ChemfilesError
+import numpy as np
 from _utils import remove_warnings
 
+from chemfiles import ChemfilesError, Residue
+
 
 class TestResidue(unittest.TestCase):
     def test_repr(self):

tests/selection.py

@@ -1,9 +1,10 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-import unittest
+
 import copy
+import unittest
 
-from chemfiles import Selection, Topology, Frame, Atom
+from chemfiles import Atom, Frame, Selection, Topology
 
 
 def testing_frame():

tests/topology.py

@@ -1,12 +1,14 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-import unittest
+
 import copy
-import numpy as np
+import unittest
 
-from chemfiles import Topology, Atom, Residue, BondOrder, ChemfilesError
+import numpy as np
 from _utils import remove_warnings
 
+from chemfiles import Atom, BondOrder, ChemfilesError, Residue, Topology
+
 
 class TestTopology(unittest.TestCase):
     def test_repr(self):

tests/trajectory.py

@@ -1,14 +1,22 @@
 # -*- coding=utf-8 -*-
 from __future__ import absolute_import, print_function, unicode_literals
-import unittest
-import numpy as np
-import os
 
-from chemfiles import Trajectory, MemoryTrajectory, Topology, Frame, UnitCell, Atom
-from chemfiles import ChemfilesError
+import os
+import unittest
 
+import numpy as np
 from _utils import remove_warnings
 
+from chemfiles import (
+    Atom,
+    ChemfilesError,
+    Frame,
+    MemoryTrajectory,
+    Topology,
+    Trajectory,
+    UnitCell,
+)
+
 EXPECTED_XYZ_TRAJECTORY = """4
 Properties=species:S:1:pos:R:3
 X 1 2 3