Beispiel #1
0
    def compute_d_single(self, experiment):
        '''
    Compute the resolution for each reflection.

    :param experiment: The experimental models
    :return: The resolution for each reflection

    '''
        from dials.array_family import flex
        uc = flex.unit_cell(1)
        uc[0] = experiment.crystal.get_unit_cell()
        self['d'] = uc.d(self['miller_index'], flex.size_t(len(self), 0))
        return self['d']
Beispiel #2
0
  def compute_d_single(self, experiment):
    '''
    Compute the resolution for each reflection.

    :param experiment: The experimental models
    :return: The resolution for each reflection

    '''
    from dials.array_family import flex
    uc = flex.unit_cell(1)
    uc[0] = experiment.crystal.get_unit_cell()
    self['d'] = uc.d(self['miller_index'], flex.size_t(len(self), 0))
    return self['d']
Beispiel #3
0
    def compute_d(self, experiments):
        '''
    Compute the resolution for each reflection.

    :param experiments: The experiment list
    :return: The resolution for each reflection

    '''
        from dials.array_family import flex
        uc = flex.unit_cell(len(experiments))
        for i, e in enumerate(experiments):
            uc[i] = e.crystal.get_unit_cell()
        assert self['id'].all_ge(0)
        self['d'] = uc.d(self['miller_index'], flex.size_t(list(self['id'])))
        return self['d']
Beispiel #4
0
  def compute_d(self, experiments):
    '''
    Compute the resolution for each reflection.

    :param experiments: The experiment list
    :return: The resolution for each reflection

    '''
    from dials.array_family import flex
    uc = flex.unit_cell(len(experiments))
    for i, e in enumerate(experiments):
      uc[i] = e.crystal.get_unit_cell()
    assert self['id'].all_ge(0)
    self['d'] = uc.d(self['miller_index'], flex.size_t(list(self['id'])))
    return self['d']