202202 :members:
203203
204204"""
205+
205206import numpy
206207import re
207208import gzip
@@ -279,9 +280,7 @@ class gridpositions(DXclass):
279280 def __init__ (self , classid , shape = None , origin = None , delta = None , ** kwargs ):
280281 if shape is None or origin is None or delta is None :
281282 raise ValueError ("all keyword arguments are required" )
282- super ().__init__ (classid ,
283- name = "gridpositions" ,
284- component = "positions" )
283+ super ().__init__ (classid , name = "gridpositions" , component = "positions" )
285284 self .shape = numpy .asarray (shape ) # D dimensional shape
286285 self .origin = numpy .asarray (origin ) # D vector
287286 self .rank = len (self .shape ) # D === rank
@@ -302,9 +301,7 @@ def __init__(self, classid, shape=None, origin=None, delta=None, **kwargs):
302301 )
303302
304303 def write (self , stream ):
305- super ().write (
306- stream , ("counts " + self .ndformat (" %d" )) % tuple (self .shape )
307- )
304+ super ().write (stream , ("counts " + self .ndformat (" %d" )) % tuple (self .shape ))
308305 self ._write_line (stream , "origin %f %f %f\n " % tuple (self .origin ))
309306 for delta in self .delta :
310307 self ._write_line (
@@ -330,9 +327,7 @@ class gridconnections(DXclass):
330327 def __init__ (self , classid , shape = None , ** kwargs ):
331328 if shape is None :
332329 raise ValueError ("all keyword arguments are required" )
333- super ().__init__ (classid ,
334- name = "gridconnections" ,
335- component = "connections" )
330+ super ().__init__ (classid , name = "gridconnections" , component = "connections" )
336331 self .shape = numpy .asarray (shape ) # D dimensional shape
337332
338333 def write (self , stream ):
@@ -411,9 +406,7 @@ def __init__(self, classid, array=None, type=None, typequote='"', **kwargs):
411406 """
412407 if array is None :
413408 raise ValueError ("array keyword argument is required" )
414- super ().__init__ (classid ,
415- name = "array" ,
416- component = "data" )
409+ super ().__init__ (classid , name = "array" , component = "data" )
417410 # detect type https://github.com/MDAnalysis/GridDataFormats/issues/35
418411 if type is None :
419412 self .array = numpy .asarray (array )
@@ -545,10 +538,11 @@ def __init__(self, classid="0", components=None, comments=None):
545538 dx = OpenDX.field('density',[gridpoints,gridconnections,array])
546539
547540 """
548- super ().__init__ (classid , # can be an arbitrary string
549- name = "field" ,
550- component = None , # cannot be a component of a field
551- )
541+ super ().__init__ (
542+ classid , # can be an arbitrary string
543+ name = "field" ,
544+ component = None , # cannot be a component of a field
545+ )
552546 if components is None :
553547 components = dict (positions = None , connections = None , data = None )
554548 if comments is None :
@@ -586,8 +580,8 @@ def from_grid(cls, grid, type=None, typequote='"', **kwargs):
586580 -------
587581 field
588582 OpenDX field wrapper
589-
590-
583+
584+
591585 .. versionadded:: 1.2.0
592586 """
593587 comments = [
@@ -614,10 +608,10 @@ def from_grid(cls, grid, type=None, typequote='"', **kwargs):
614608 @property
615609 def native (self ):
616610 """Return native object
617-
611+
618612 The "native" object is the :class:`gridData.OpenDX.field` itself.
619-
620-
613+
614+
621615 .. versionadded:: 1.2.0
622616 """
623617 return self
@@ -685,9 +679,11 @@ def read(self, stream):
685679 except (UnicodeDecodeError , RecursionError ) as err :
686680 # parser got confused, likely not a valid file
687681 # (RecursionError was only observed on Windows)
688- raise ValueError ("DX file could not be read. "
689- "The original error was\n "
690- f" { err .__class__ .__name__ } : { err } " )
682+ raise ValueError (
683+ "DX file could not be read. "
684+ "The original error was\n "
685+ f" { err .__class__ .__name__ } : { err } "
686+ )
691687
692688 def add (self , component , DXobj ):
693689 """add a component to the field"""
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