コード例 #1
0
  def from_dict(d, t=None):
    ''' Convert the dictionary to a crystal model

    Params:
        d The dictionary of parameters
        t The template dictionary to use

    Returns:
        The crystal model

    '''
    # If None, return None
    if d == None:
      if t == None: return None
      else: return from_dict(t, None)
    elif t != None:
      d = dict(t.items() + d.items())

    # Create the model from the dictionary
    if 'ML_half_mosaicity_deg' in d:
      assert 'ML_domain_size_ang' in d
      if d['ML_half_mosaicity_deg'] is None or d['ML_domain_size_ang'] is None:
        assert d['ML_half_mosaicity_deg'] is None and d['ML_domain_size_ang'] is None
      else:
        if 'mosaicity' in d and d['mosaicity'] > 0:
          print "Warning, two kinds of mosaicity found. Using Sauter2014 model"
        from dxtbx.model import MosaicCrystalSauter2014
        return MosaicCrystalSauter2014.from_dict(d)
    if 'mosaicity' in d:
      from dxtbx.model import MosaicCrystalKabsch2010
      return MosaicCrystalKabsch2010.from_dict(d)
    else:
      from dxtbx.model import Crystal
      return Crystal.from_dict(d)
コード例 #2
0
    def from_dict(d, t=None):
        """Convert the dictionary to a crystal model

        Params:
            d The dictionary of parameters
            t The template dictionary to use

        Returns:
            The crystal model

        """
        if d is None and t is None:
            return None
        joint = t.copy() if t else {}
        joint.update(d)

        # Create the model from the dictionary
        if "ML_half_mosaicity_deg" in joint:
            assert "ML_domain_size_ang" in joint
            if (joint["ML_half_mosaicity_deg"] is None
                    or joint["ML_domain_size_ang"] is None):
                assert (joint["ML_half_mosaicity_deg"] is None
                        and joint["ML_domain_size_ang"] is None)
            else:
                if joint.get("mosaicity", 0) > 0:
                    print(
                        "Warning, two kinds of mosaicity found. Using Sauter2014 model"
                    )
                from dxtbx.model import MosaicCrystalSauter2014

                return MosaicCrystalSauter2014.from_dict(joint)
        if "mosaicity" in joint:
            from dxtbx.model import MosaicCrystalKabsch2010

            return MosaicCrystalKabsch2010.from_dict(joint)
        else:
            from dxtbx.model import Crystal

            return Crystal.from_dict(joint)