Skip to content

Commit be7005a

Browse files
committed
Reformat white-space near parenthesis.
No change in code function.
1 parent 3626d52 commit be7005a

File tree

1 file changed

+6
-6
lines changed

1 file changed

+6
-6
lines changed

src/diffpy/Structure/Parsers/P_xcfg.py

Lines changed: 6 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -204,7 +204,7 @@ def parseLines(self, lines):
204204
elif line.find("A =") == 0:
205205
xcfg_A = float(line[3:].split(None, 1)[0])
206206
elif line.find("H0(") == 0:
207-
i, j = ( int(line[3])-1 , int(line[5])-1 )
207+
i, j = (int(line[3]) - 1, int(line[5]) - 1)
208208
xcfg_H0[i,j] = float(line[10:].split(None, 1)[0])
209209
xcfg_H0_set[i,j] = True
210210
elif line.find(".NO_VELOCITY.") == 0:
@@ -279,7 +279,7 @@ def toLines(self, stru):
279279
emsg = "cannot convert empty structure to XCFG format"
280280
raise StructureFormatError(emsg)
281281
lines = []
282-
lines.append( "Number of particles = %i" % len(stru) )
282+
lines.append("Number of particles = %i" % len(stru))
283283
# figure out length unit A
284284
allxyz = numpy.array([a.xyz for a in stru])
285285
lo_xyz = allxyz.min(axis=0)
@@ -293,7 +293,7 @@ def toLines(self, stru):
293293
hi_ucvect = max([numpy.sqrt(numpy.dot(v,v)) for v in stru.lattice.base])
294294
if hi_ucvect*p_A < 3.5:
295295
p_A = numpy.ceil(3.5 / hi_ucvect)
296-
lines.append( "A = %.8g Angstrom" % p_A )
296+
lines.append("A = %.8g Angstrom" % p_A)
297297
# how much do we need to shift the coordinates?
298298
p_dxyz = numpy.zeros(3, dtype=float)
299299
for i in range(3):
@@ -303,8 +303,8 @@ def toLines(self, stru):
303303
# H0 tensor
304304
for i in range(3):
305305
for j in range(3):
306-
lines.append( "H0(%i,%i) = %.8g A" % \
307-
(i+1, j+1, stru.lattice.base[i,j]) )
306+
lines.append("H0(%i,%i) = %.8g A" %
307+
(i + 1, j + 1, stru.lattice.base[i, j]))
308308
# get out for empty structure
309309
if len(stru) == 0: return lines
310310
a_first = stru[0]
@@ -322,7 +322,7 @@ def toLines(self, stru):
322322
# add occupancy if any atom has nonunit occupancy
323323
for a in stru:
324324
if a.occupancy != 1.0:
325-
p_auxiliaries.append( ('occupancy', 'a.occupancy') )
325+
p_auxiliaries.append(('occupancy', 'a.occupancy'))
326326
break
327327
# add temperature factor with as many terms as needed
328328
# check whether all temperature factors are zero or isotropic

0 commit comments

Comments
 (0)