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fix and improve error-checking for shifts parameter

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jan 2017-09-05 11:07:32 -07:00
commit e930baf2b4
1 changed files with 5 additions and 2 deletions
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5
gridlock/grid.py
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@ -307,8 +307,11 @@ class Grid(object):
self.periodic = periodic
self.shifts = numpy.array(shifts, dtype=float)
if len(self.shifts.shape) != 2:
raise GridError('Misshapen shifts: shifts must have two axes! '
' The given shifts has shape {}'.format(self.shifts.shape))
if self.shifts.shape[1] != 3:
GridError('Misshapen shifts; second axis size should be 3,'
raise GridError('Misshapen shifts; second axis size should be 3,'
' shape is {}'.format(self.shifts.shape))
num_shifts = self.shifts.shape[0]