Fourier example throws 'tuple index out of range'
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tproffen commented
Installed javelin using conda in python 2.7 environment and try to run it in a notebook.
Code:
structure = read_stru("javelin/tests/data/pzn2.stru")
fourier = Fourier()
fourier.structure = structure
fourier.grid.r1 = -2, 2
fourier.grid.r2 = -2, 2
fourier.grid.bins = 201, 201
print(fourier)
Error:
---------------------------------------------------------------------------
IndexError Traceback (most recent call last)
<ipython-input-5-6453aea7abb3> in <module>()
4 fourier.grid.r2 = -2, 2
5 fourier.grid.bins = 201, 201
----> 6 print(fourier)
/home/cades/miniconda3/envs/py27/lib/python2.7/site-packages/javelin-0.1.0-py2.7-linux-x86_64.egg/javelin/fourier.pyc in __str__(self)
107 .format(self.number_of_lots, *self.lots),
108 self.average,
--> 109 self.grid)
110
111 @property
/home/cades/miniconda3/envs/py27/lib/python2.7/site-packages/javelin-0.1.0-py2.7-linux-x86_64.egg/javelin/structure.pyc in __str__(self)
116 return "{}({}, {})".format(self.__class__.__name__,
117 self.get_chemical_formula(),
--> 118 self.unitcell)
119
120 def __len__(self):
/home/cades/miniconda3/envs/py27/lib/python2.7/site-packages/javelin-0.1.0-py2.7-linux-x86_64.egg/javelin/unitcell.pyc in __repr__(self)
66
67 def __repr__(self):
---> 68 return "a={}, b={}, c={}, alpha={}, beta={}, gamma={}".format(*self.cell)
69
70 def cartesian(self, u):
IndexError: tuple index out of range