def compose(self):
# extract parameters from the internal list
dist, shift1, shift2, tau1, tau2, tau3 = self._param
# convert angles to radians
tau1rad = tau1.value / 1000.0
tau2rad = tau2.value / 1000.0
tau3rad = tau3.value / 1000.0
# compose rotation matrices and their first order derivatives
Tau1 = (tau1.axis).axis_and_angle_as_r3_rotation_matrix(tau1rad,
deg=False)
dTau1_dtau1 = dR_from_axis_and_angle(tau1.axis, tau1rad, deg=False)
Tau2 = (tau2.axis).axis_and_angle_as_r3_rotation_matrix(tau2rad,
deg=False)
dTau2_dtau2 = dR_from_axis_and_angle(tau2.axis, tau2rad, deg=False)
Tau3 = (tau3.axis).axis_and_angle_as_r3_rotation_matrix(tau3rad,
deg=False)
dTau3_dtau3 = dR_from_axis_and_angle(tau3.axis, tau3rad, deg=False)
# Compose the new state
from scitbx.array_family import flex
from dials_refinement_helpers_ext import multi_panel_compose
ret = multi_panel_compose(
flex.vec3_double(
[self._initial_state[tag] for tag in ("d1", "d2", "dn")]),
flex.double([p.value for p in self._param]),
flex.vec3_double([p.axis for p in self._param]),
self._model,
flex.vec3_double(self._offsets),
flex.vec3_double(self._dir1s),
flex.vec3_double(self._dir2s),
Tau1,
dTau1_dtau1,
Tau2,
dTau2_dtau2,
Tau3,
dTau3_dtau3,
)
# Store the results. The results come back as a single array, convert it to a 2D array
self._multi_state_derivatives = [[
matrix.sqr(ret[j * len(self._offsets) + i])
for j in range(len(self._param))
] for i in range(len(self._offsets))]
def compose(self):
# extract parameters from the internal list
dist, shift1, shift2, tau1, tau2, tau3 = self._param
# convert angles to radians
tau1rad = tau1.value / 1000.
tau2rad = tau2.value / 1000.
tau3rad = tau3.value / 1000.
# compose rotation matrices and their first order derivatives
Tau1 = (tau1.axis).axis_and_angle_as_r3_rotation_matrix(tau1rad,
deg=False)
dTau1_dtau1 = dR_from_axis_and_angle(tau1.axis, tau1rad, deg=False)
Tau2 = (tau2.axis).axis_and_angle_as_r3_rotation_matrix(tau2rad,
deg=False)
dTau2_dtau2 = dR_from_axis_and_angle(tau2.axis, tau2rad, deg=False)
Tau3 = (tau3.axis).axis_and_angle_as_r3_rotation_matrix(tau3rad,
deg=False)
dTau3_dtau3 = dR_from_axis_and_angle(tau3.axis, tau3rad, deg=False)
# Compose the new state
from dials_refinement_helpers_ext import multi_panel_compose
from scitbx.array_family import flex
ret = multi_panel_compose(flex.vec3_double([self._initial_state[tag] for tag in ('d1','d2','dn')]),
flex.double([p.value for p in self._param]),
flex.vec3_double([p.axis for p in self._param]),
self._model,
flex.vec3_double(self._offsets),
flex.vec3_double(self._dir1s),
flex.vec3_double(self._dir2s),
Tau1, dTau1_dtau1, Tau2, dTau2_dtau2, Tau3, dTau3_dtau3)
# Store the results. The results come back as a single array, convert it to a 2D array
self._multi_state_derivatives = [[matrix.sqr(ret[j*len(self._offsets)+i]) \
for j in xrange(len(self._param))] \
for i in xrange(len(self._offsets))]
return