def from_dict(d, t=None):
"""Convert the dictionary to a goniometer model
Params:
d The dictionary of parameters
t The template dictionary to use
Returns:
The goniometer model
"""
from dxtbx.model import Goniometer, MultiAxisGoniometer
# If None, return None
if d is None:
if t is 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 "axes" in d and "angles" in d and "scan_axis" in d:
return MultiAxisGoniometer.from_dict(d)
return Goniometer.from_dict(d)
def from_dict(d, t=None):
"""Convert the dictionary to a goniometer model
Params:
d The dictionary of parameters
t The template dictionary to use
Returns:
The goniometer 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 joint dictionary
if {"axes", "angles", "scan_axis"}.issubset(joint):
return MultiAxisGoniometer.from_dict(joint)
return Goniometer.from_dict(joint)
def make_multi_axis_goniometer(axes, angles, names, scan_axis):
return MultiAxisGoniometer(axes, angles, names, scan_axis)
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
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