Storage of a CSD hit.
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Methods
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__init__
__repr__
rcel
scel
srcel
sumformula
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__init__
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__init__ ( self, s )
Constructor.
Parses the "log" output given in s.
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Exceptions
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ValueError( "Could not find '*' in CSD hit" )
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__repr__
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__repr__ ( self )
A summary representation. |
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rcel
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rcel ( self )
The reduced cell parameters as a 6-tuple |
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scel
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scel ( self )
Make a string representation of the conventional cell |
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srcel
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srcel ( self )
Make a string representation of the reduced cell |
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sumformula
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sumformula ( self )
The molecular sum formula as a string |