Пример #1
0
    def multi_axis_goniometer_from_phil(params, reference=None):
        # Check the axes parameter
        if params.goniometer.axes is not None:
            if len(params.goniometer.axes) % 3:
                raise RuntimeError(
                    "Number of values for axes parameter must be multiple of 3."
                )

        # Check the fixed rotation
        if params.goniometer.fixed_rotation is not None:
            raise RuntimeError(
                "Multi-axis goniometer requires fixed_rotation == None")

        # Check the setting rotation
        if params.goniometer.setting_rotation is not None:
            raise RuntimeError(
                "Multi-axis goniometer requires setting_rotation == None")

        # Check the input
        if reference is None:
            if params.goniometer.axes is None:
                raise RuntimeError("No axes set")

            # Create the axes
            axes = flex.vec3_double(
                params.goniometer.axes[i * 3:(i * 3) + 3]
                for i in range(len(params.goniometer.axes) // 3))

            # Invert the rotation axis
            if params.goniometer.invert_rotation_axis is True:
                axes = flex.vec3_double([[-x for x in v] for v in axes])

            # Create the angles
            if params.goniometer.angles is not None:
                angles = params.goniometer.angles
                if len(angles) != len(axes):
                    raise RuntimeError("Number of angles must match axes")
            else:
                angles = flex.double([0] * len(axes))

            # Create the names
            if params.goniometer.names is not None:
                names = params.goniometer.names
                if len(names) != len(axes):
                    raise RuntimeError("Number of names must match axes")
            else:
                names = flex.std_string([""] * len(axes))

            # Create the scan axis
            if params.goniometer.scan_axis is not None:
                scan_axis = params.goniometer.scan_axis
            else:
                scan_axis = 0

            # Create the model
            goniometer = MultiAxisGoniometer(axes, angles, names, scan_axis)
        else:
            goniometer = reference

            # Set the axes
            if params.goniometer.axes is not None:
                axes = flex.vec3_double(
                    params.goniometer.axes[i * 3:(i * 3) + 3]
                    for i in range(len(params.goniometer.axes) // 3))
                if len(goniometer.get_axes()) != len(axes):
                    raise RuntimeError(
                        "Number of axes must match the current goniometer (%s)"
                        % len(goniometer.get_axes()))
                goniometer.set_axes(axes)

            # Invert rotation axis
            if params.goniometer.invert_rotation_axis is True:
                axes = flex.vec3_double([[-x for x in v]
                                         for v in goniometer.get_axes()])
                goniometer.set_axes(axes)

            # Set the angles
            if params.goniometer.angles is not None:
                if len(goniometer.get_angles()) != len(
                        params.goniometer.angles):
                    raise RuntimeError(
                        "Number of angles must match the current goniometer (%s)"
                        % len(goniometer.get_angles()))
                goniometer.set_angles(params.goniometer.angles)

            # Set the namess
            if params.goniometer.names is not None:
                if len(goniometer.get_names()) != len(params.goniometer.names):
                    raise RuntimeError(
                        "Number of names must match the current goniometer (%s)"
                        % len(goniometer.get_names()))
                goniometer.set_names(params.goniometer.names)

            # Set the scan axis
            if params.goniometer.scan_axis is not None:
                raise RuntimeError("Can not override scan axis")

        return goniometer
Пример #2
0
  def multi_axis_goniometer_from_phil(params, reference=None):
    from scitbx.array_family import flex

    # Check the axes parameter
    if params.goniometer.axes is not None:
      if len(params.goniometer.axes) % 3:
        raise RuntimeError("Number of values for axes parameter must be multiple of 3.")

    # Check the fixed rotation
    if params.goniometer.fixed_rotation is not None:
      raise RuntimeError('Multi-axis goniometer requires fixed_rotation == None')

    # Check the setting rotation
    if params.goniometer.setting_rotation is not None:
      raise RuntimeError('Multi-axis goniometer requires setting_rotation == None')

    # Check the input
    if reference is None:
      if params.goniometer.axes is None:
        raise RuntimeError('No axes set')

      # Create the axes
      axes = flex.vec3_double(
        params.goniometer.axes[i*3:(i*3)+3] for i in
        range(len(params.goniometer.axes) // 3))

      # Create the angles
      if params.goniometer.angles is not None:
        angles = params.goniometer.angles
        if len(angles) != len(axes):
          raise RuntimeError('Number of angles must match axes')
      else:
        angles = flex.double([0] * len(axes))

      # Create the names
      if params.goniometer.names is not None:
        names = params.goniometer.names
        if len(names) != len(axes):
          raise RuntimeError('Number of names must match axes')
      else:
        names = flex.std_string([''] * len(axes))

      # Create the scan axis
      if params.goniometer.scan_axis is not None:
        scan_axis = params.goniometer.scan_axis
      else:
        scan_axis = 0

      # Create the model
      goniometer = MultiAxisGoniometer(axes, angles, names, scan_axis)
    else:
      goniometer = reference

      # Set the axes
      if params.goniometer.axes is not None:
        axes = flex.vec3_double(
          params.goniometer.axes[i*3:(i*3)+3] for i in
          range(len(params.goniometer.axes) // 3))
        if len(goniometer.get_axes()) != len(axes):
          raise RuntimeError("Number of axes must match the current goniometer (%s)"
             %len(goniometer.get_axes()))
        goniometer.set_axes(axes)

      # Set the angles
      if params.goniometer.angles is not None:
        if len(goniometer.get_angles()) != len(params.goniometer.angles):
          raise RuntimeError("Number of angles must match the current goniometer (%s)"
             %len(goniometer.get_angles()))
        goniometer.set_angles(params.goniometer.angles)

      # Set the namess
      if params.goniometer.names is not None:
        if len(goniometer.get_names()) != len(params.goniometer.names):
          raise RuntimeError("Number of names must match the current goniometer (%s)"
             %len(goniometer.get_names()))
        goniometer.set_names(params.goniometer.names)

      # Set the scan axis
      if params.goniometer.scan_axis is not None:
        raise RuntimeError('Can not override scan axis')

    # Return the model
    return goniometer