#!/usr/bin/env python
# compute_average_unit_cell.py
#
#   Copyright (C) 2011 Diamond Light Source, Graeme Winter
#
#   This code is distributed under the BSD license, a copy of which is
#   included in the root directory of this package.
#
# Replacement function centralised to replace the use of cellparm.

def compute_average_unit_cell(unit_cell_list):
  '''Compute the weighted average unit cell based on a list of

  ((unit cell), nref)

  tuples.'''

  w_tot = 0.0

  a_tot = 0.0
  b_tot = 0.0
  c_tot = 0.0
  alpha_tot = 0.0
  beta_tot = 0.0
  gamma_tot = 0.0

  for cell, n_ref in unit_cell_list:
    w_tot += n_ref
    a_tot += cell[0] * n_ref
    b_tot += cell[1] * n_ref
    c_tot += cell[2] * n_ref
    alpha_tot += cell[3] * n_ref
    beta_tot += cell[4] * n_ref
    gamma_tot += cell[5] * n_ref

  return (a_tot / w_tot, b_tot / w_tot, c_tot / w_tot,
          alpha_tot / w_tot, beta_tot / w_tot, gamma_tot / w_tot)