Envelope#
- class Envelope(target_threshold=None, **kwargs)[source]#
Bases:
_MatchCoordinatesToDensity
The Envelope score (ENV) between the target \(f\) and the template \(g\) is calculated as:
\[\text{d(f,g)} = \sum_{\mathbf{p} \in P} f'(\mathbf{p}) \cdot g'(\mathbf{p})\]- Parameters:
- targetNDArray
A d-dimensional target to match the template coordinate set to.
- template_coordinatesNDArray
Template coordinate array with shape (d,n).
- template_weightsNDArray
Template weight array with shape (n,).
- template_mask_coordinatesNDArray, optional
Template mask coordinates with shape (d,n).
- target_maskNDArray, optional
A d-dimensional mask to be applied to the target.
- negate_scorebool, optional
Whether the final score should be multiplied by negative one. Default is True.
- return_gradientbool, optional
Invoking __call_ returns a tuple of score and parameter gradient. Default is False.
- **kwargsDict, optional
Keyword arguments propagated to downstream functions.
References
[1]Daven Vasishtan and Maya Topf, “Scoring functions for cryoEM density fitting”, Journal of Structural Biology, vol. 1174, no. 2, pp. 333–343, 2011. DOI: https://doi.org/10.1016/j.jsb.2011.01.012
Methods
Envelope.rotate_array
(arr, rotation_matrix, ...)Compute the matching score for the given transformation parameters.
Computes the score after a given rotation.
Computes the score after a given translation.