Package PySVD :: Module SVDSimilarity
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Module SVDSimilarity

source code

Classes [hide private]
  SimilarityCalculator
Functions [hide private]
 
showMat(mat) source code
 
_test() source code
Variables [hide private]
  molTest = ...
  __test__ = {'molTest': molTest}
Variables Details [hide private]

molTest

Value:
"""

This is a nice test because not only is it molecular with vaguely
sensible results, but the matrix is only of rank 2 (despite being
3x3), so it can catch boundary conditions in the solver.

>>> import Chem
>>> from Chem.AtomPairs import Torsions,Utils
...