Package generic_fns :: Package structure :: Module superimpose :: Class Pivot_finder
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Class Pivot_finder

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Class for finding the optimal pivot point for motions between the given models.

Instance Methods [hide private]
 
__init__(self, models, coord)
Set up the class for pivot point optimisation.
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float
func(self, params)
Target function for the optimisation of the motional pivot point.
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Method Details [hide private]

__init__(self, models, coord)
(Constructor)

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Set up the class for pivot point optimisation.

Parameters:
  • models (list of int or None) - The list of models to use. If set to None, then all models will be used.
  • coord (rank-3 numpy array) - The array of molecular coordinates. The first dimension corresponds to the model, the second the atom, the third the coordinate.

func(self, params)

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Target function for the optimisation of the motional pivot point.

Parameters:
  • params (list) - The parameter vector from the optimisation algorithm.
Returns: float
The target function value defined as the combined RMSD value.