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Source code for dials.algorithms.indexing.basis_vector_search.strategy

"""Basis vector search strategies."""

from __future__ import absolute_import, division, print_function


[docs]class Strategy(object): """A base class for basis vector search strategies.""" phil_scope = None def __init__(self, max_cell, params=None, *args, **kwargs): """Construct the strategy. Args: max_cell (float): An estimate of the maximum cell dimension of the primitive cell. """ self._max_cell = max_cell self._params = params if self._params is None and self.phil_scope is not None: self._params = self.phil_scope.extract()
[docs] def find_basis_vectors(self, reciprocal_lattice_vectors): """Find a list of likely basis vectors. Args: reciprocal_lattice_vectors (scitbx.array_family.flex.vec3_double): The list of reciprocal lattice vectors to search for periodicity. Returns: A tuple containing the list of basis vectors and a flex.bool array identifying which reflections were used in indexing. """ raise NotImplementedError()