def test_multi_axis_goniometer():
g1 = GoniometerFactory.multi_axis(flex.vec3_double(((1, 0, 0), )),
flex.double((0, )),
flex.std_string(("PHI", )), 0)
d = g1.to_dict()
g2 = GoniometerFactory.from_dict(d)
assert d["axes"] == [(1, 0, 0)]
assert d["angles"] == [0.0]
assert d["names"] == ["PHI"]
assert d["scan_axis"] == 0
assert g1 == g2
assert "setting_rotation_at_scan_points" not in d
# Test with a template and partial dictionary
d2 = {"axes": [(0, 1, 0)]}
g3 = GoniometerFactory.from_dict(d2, d)
assert g3.get_rotation_axis() == (0, 1, 0)
assert g3.get_fixed_rotation() == (1, 0, 0, 0, 1, 0, 0, 0, 1)
assert g2 != g3
def test_goniometer_with_scan_points():
simple_g = Goniometer((1, 0, 0), (1, 0, 0, 0, 1, 0, 0, 0, 1))
multi_ax_g = GoniometerFactory.multi_axis(flex.vec3_double(((1, 0, 0), )),
flex.double((0, )),
flex.std_string(("PHI", )), 0)
for g1 in [simple_g, multi_ax_g]:
S_static = matrix.sqr(g1.get_setting_rotation())
g1.set_setting_rotation_at_scan_points([S_static] * 5)
d = g1.to_dict()
g2 = GoniometerFactory.from_dict(d)
for Scomp in d["setting_rotation_at_scan_points"]:
assert matrix.sqr(Scomp) == S_static
for Scomp in g2.get_setting_rotation_at_scan_points():
assert matrix.sqr(Scomp) == S_static
assert g1 == g2
def test_multi_axis_goniometer():
from dxtbx.model import GoniometerFactory
from scitbx.array_family import flex
g1 = GoniometerFactory.multi_axis(flex.vec3_double(((1, 0, 0), )),
flex.double((0, )),
flex.std_string(('PHI', )), 0)
d = g1.to_dict()
g2 = GoniometerFactory.from_dict(d)
assert d['axes'] == [(1, 0, 0)]
assert d['angles'] == [0.0]
assert d['names'] == ['PHI']
assert d['scan_axis'] == 0
assert g1 == g2
assert 'setting_rotation_at_scan_points' not in d
# Test with a template and partial dictionary
d2 = {'axes': [(0, 1, 0)]}
g3 = GoniometerFactory.from_dict(d2, d)
assert g3.get_rotation_axis() == (0, 1, 0)
assert g3.get_fixed_rotation() == (1, 0, 0, 0, 1, 0, 0, 0, 1)
assert g2 != g3
def test_goniometer_with_scan_points():
from dxtbx.model import Goniometer, GoniometerFactory
from scitbx.array_family import flex
simple_g = Goniometer((1, 0, 0), (1, 0, 0, 0, 1, 0, 0, 0, 1))
multi_ax_g = GoniometerFactory.multi_axis(flex.vec3_double(((1, 0, 0), )),
flex.double((0, )),
flex.std_string(('PHI', )), 0)
from scitbx import matrix
for g1 in [simple_g, multi_ax_g]:
S_static = matrix.sqr(g1.get_setting_rotation())
g1.set_setting_rotation_at_scan_points([S_static] * 5)
d = g1.to_dict()
g2 = GoniometerFactory.from_dict(d)
for Scomp in d['setting_rotation_at_scan_points']:
assert matrix.sqr(Scomp) == S_static
for Scomp in g2.get_setting_rotation_at_scan_points():
assert matrix.sqr(Scomp) == S_static
assert g1 == g2