[MMTK] setConfiguration -> frames are not aligned

Ralf Biehl ra.biehl at fz-juelich.de
Thu Apr 16 11:38:10 UTC 2009


Hi all

Following sequence produces an error as shown in the code below

__MMTK.__version__
 '2.5.24'
org=universe.copyConfiguration()
new=ParticleVector(universe,r_[[a.position() for a in universe.atomList()]])
org+new
.....

<type 'exceptions.ValueError'>: frames are not aligned

Same error with universe.setConfiguration and anything that needs _add_ 
the same under MMTK 2.5.23     is working

Is it a bug in 2.5.24 or do i something wrong?

Best
Ralf




code:

I[54]scatter: MMTK.__version__
       O[54]: '2.5.24'

I[55]scatter: org=universe.copyConfiguration()
I[56]scatter: new=ParticleVector(universe,r_[[a.position() for a in 
universe.atomList()]])
I[57]scatter: a=org+new
---------------------------------------------------------------------------
<type 'exceptions.ValueError'>            Traceback (most recent call last)

...scatter/<ipython console> in <module>()

/usr/lib/python2.5/site-packages/MMTK/ParticleProperties.py in 
__add__(self, other)
    345
    346     def __add__(self, other):
--> 347         value = ParticleVector.__add__(self, other)
    348         return Configuration(self.universe, value.array, 
self.cell_parameters)
    349

/usr/lib/python2.5/site-packages/MMTK/ParticleProperties.py in 
__add__(self, other)
     93
     94     def __add__(self, other):
---> 95         return self._arithmetic(other, N.add)
     96
     97     __radd__ = __add__

/usr/lib/python2.5/site-packages/MMTK/ParticleProperties.py in 
_arithmetic(self, other, op, allow_scalar)
     90                 a2 = a2[index_expression[...] +
     91                         
(len(a1.shape)-1)*index_expression[N.NewAxis]]
---> 92         return return_class(self.universe, op(a1, a2))
     93
     94     def __add__(self, other):

<type 'exceptions.ValueError'>: frames are not aligned





-- 

Dr. Ralf Biehl
Institut für Festkörerforschung
Forschungszentrum Jülich
D-52425 Jülich
Germany

Tel.:   +49-(0)2461-61-4685
Fax:    +49-(0)2461-61-2610



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