Code breaking deletion, awaits merge of pyxem#98

diffsims/generators/library_generator.py

@@ -136,80 +136,6 @@ def get_diffraction_library(
 
         return diffraction_library
 
-
-def _generate_lookup_table(recip_latt, reciprocal_radius: float, unique: bool = True):
-    """Generate a look-up table with all combinations of indices,
-    including their reciprocal distances and the angle between
-    them.
-
-    Parameters
-    ----------
-    recip_latt : :class:`diffpy.structure.lattice.Lattice`
-        Reciprocal lattice
-    reciprocal_radius : float
-        The maximum g-vector magnitude to be included in the library.
-    unique : bool
-        Return a unique list of phase measurements
-
-    Returns
-    -------
-    indices : np.array
-        Nx2x3 numpy array containing the miller indices for
-        reflection1, reflection2
-    measurements : np.array
-        Nx3 numpy array containing len1, len2, angle
-
-    """
-    miller_indices, coordinates, distances = get_points_in_sphere(
-        recip_latt, reciprocal_radius
-    )
-
-    # Create pair_indices for selecting all point pair combinations
-    num_indices = len(miller_indices)
-    pair_a_indices, pair_b_indices = np.mgrid[:num_indices, :num_indices]
-
-    # Only select one of the permutations and don't pair an index with
-    # itself (select above diagonal)
-    upper_indices = np.triu_indices(num_indices, 1)
-    pair_a_indices = pair_a_indices[upper_indices].ravel()
-    pair_b_indices = pair_b_indices[upper_indices].ravel()
-
-    # Mask off origin (0, 0, 0)
-    origin_index = num_indices // 2
-    pair_a_indices = pair_a_indices[pair_a_indices != origin_index]
-    pair_b_indices = pair_b_indices[pair_b_indices != origin_index]
-
-    pair_indices = np.vstack([pair_a_indices, pair_b_indices])
-
-    # Create library entries
-    angles = get_angle_cartesian_vec(
-        coordinates[pair_a_indices], coordinates[pair_b_indices]
-    )
-    pair_distances = distances[pair_indices.T]
-    # Ensure longest vector is first
-    len_sort = np.fliplr(pair_distances.argsort(axis=1))
-    # phase_index_pairs is a list of [hkl1, hkl2]
-    phase_index_pairs = np.take_along_axis(
-        miller_indices[pair_indices.T], len_sort[:, :, np.newaxis], axis=1
-    )
-    # phase_measurements is a list of [len1, len2, angle]
-    phase_measurements = np.column_stack(
-        (np.take_along_axis(pair_distances, len_sort, axis=1), angles)
-    )
-
-    if unique:
-        # Only keep unique triplets
-        measurements, measurement_indices = np.unique(
-            phase_measurements, axis=0, return_index=True
-        )
-        indices = phase_index_pairs[measurement_indices]
-    else:
-        measurements = phase_measurements
-        indices = phase_index_pairs
-
-    return measurements, indices
-
-
 class VectorLibraryGenerator:
     """Computes a library of diffraction vectors and pairwise inter-vector
     angles for a specified StructureLibrary.