Top class for all point groups.
This is an abstract class. Children should define methods for:
- _Uniquify(self,h,k,l)
bring all reflections back to the asymmetric
unit
- _Expand(self,h,k,l)
replicate each reflection to all asymmetric
units
- CrystalSystem()
return the crystal system class corresponding to the
point group.
- FriedelAxes()
return a list of all 2-fold axes in the lattice.
Children should also define:
- doc string
one line description of the point group.
- centrosymmetric
a boolean indicating whether the point group
contains a center of symmetry
- conditions
a tuple containing a subset of the elements
ab, bc, ac, abc, a90, b90, c90, c120,
abg to allow a cell compatibility check.
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Methods
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Compatible
Expand
FriedelAxes
RedundantUniquify
SeqUniquify
Uniquify
__repr__
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Compatible
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Compatible (
self,
cell,
axcrit,
)
Check whether the current point group is compatible with the
given cell parameters by checking length and angle constraints. |
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Expand
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Expand ( self, hkl )
Replicate all reflections to all asymmetric units |
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FriedelAxes
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FriedelAxes ( self )
Return a list of all 2-fold axes in the lattice. |
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RedundantUniquify
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RedundantUniquify ( self, hkl )
Move reflections to asymmetric unit, keep count of redundancies |
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SeqUniquify
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SeqUniquify ( self, hkl )
Move reflections to the asymmetric unit, keep all reflections in order |
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Uniquify
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Uniquify ( self, hkl )
Move reflections to the asymmetric unit |
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__repr__
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__repr__ ( self )
One line description (class name) |
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