__init__(self,
map_asl,
fit_asl,
grid,
ref_fit_pos=None,
*args,
**kwargs)
(Constructor)
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@type map_asl: AtomSelection instance
@param map_asl:
The atom selection from which to indetify atom indices to be mapped.
@type fit_asl: AtomSelection instance
@param fit_asl:
The atom selection from which to indetify atom indices to be
transformed.
@type grid: a Grid3D instance
@param grid:
a Grid 3D instance fully configured. Atoms selected by map_asl
are mapped onto it for each frame.
@type ref_fit_pos: numpy array with shape (n,3)
@param ref_fit_pos
position array of reference conformer structure that will be used
for the superposition. Of not supplied, the first frame of the
trajectory will be used.
- Overrides:
analysistool.AnalysisTool.__init__
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