def all_defined_1():
# 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
barr = flex.int([1, 1, 1, 0, 1, 1, 0, 0, 1, 0, 0, 0, 1, 1, 1, 1]).as_bool()
iarr = [
flex.size_t([0]),
flex.size_t([1, 2]),
flex.size_t([4, 5]),
flex.size_t([8]),
flex.size_t([12, 13, 14]),
flex.size_t([15])
]
oarr = [[flex.size_t([0]), flex.size_t([1, 2])], [flex.size_t([4, 5])],
[flex.size_t([8])], [flex.size_t([12, 13, 14]),
flex.size_t([15])]]
return refinement_flags.manager(individual_sites=True,
torsion_angles=True,
rigid_body=True,
individual_adp=True,
group_adp=True,
tls=True,
occupancies=True,
group_anomalous=True,
sites_individual=barr,
sites_torsion_angles=barr,
sites_rigid_body=iarr,
adp_individual_iso=barr,
adp_individual_aniso=barr,
adp_group=iarr,
group_h=iarr,
adp_tls=iarr,
s_occupancies=oarr)
def exercise_deepcopy_show_select():
sel_all = flex.int([1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]).as_bool()
sel_none = flex.int([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]).as_bool()
sel_all_true = flex.int([0, 1, 1, 0, 1, 1, 0, 1, 1, 0, 1, 1, 0, 1, 0, 0]).as_bool()
sel_all_false = flex.int([1, 0, 0, 1, 0, 0, 1, 0, 0, 1, 0, 0, 1, 0, 1, 1]).as_bool()
sel_mix = flex.int([1, 1, 0, 0, 1, 1, 0, 0, 0, 1, 1, 0, 0, 0, 1, 1]).as_bool()
#
compare(rm=all_defined(), expected_result=expected_result_all)
compare(rm=all_defined(), expected_result=expected_result_all, deep_copy=True)
compare(rm=all_defined(), expected_result=expected_result_all, selection=sel_all)
compare(rm=all_defined(), expected_result=expected_result_none_true, selection=sel_none)
compare(rm=all_defined(), expected_result=expected_result_all, selection=sel_all_true)
compare(rm=all_defined(), expected_result=expected_result_none_true, selection=sel_all_false)
compare(rm=all_defined(), expected_result=expected_result_mix, selection=sel_mix)
#
compare(rm=refinement_flags.manager(), expected_result=expected_result_none_false)
compare(rm=refinement_flags.manager(), expected_result=expected_result_none_false, deep_copy=True)
compare(rm=refinement_flags.manager(), expected_result=expected_result_none_false, selection=sel_all)
compare(rm=refinement_flags.manager(), expected_result=expected_result_none_false, selection=sel_none)
compare(rm=refinement_flags.manager(), expected_result=expected_result_none_false, selection=sel_all_true)
compare(rm=refinement_flags.manager(), expected_result=expected_result_none_false, selection=sel_all_false)
compare(rm=refinement_flags.manager(), expected_result=expected_result_none_false, selection=sel_mix)
#
rm = all_defined()
rm_dc = rm.deep_copy()
rm_dc.individual_sites = False
rm_dc.torsion_angles = False
rm_dc.rigid_body = False
rm_dc.individual_adp = False
rm_dc.group_adp = False
rm_dc.tls = False
rm_dc.occupancies = False
rm_dc.group_anomalous = False
rm_dc.sites_individual = None
rm_dc.sites_torsion_angles = None
rm_dc.sites_rigid_body = None
rm_dc.adp_individual_iso = None
rm_dc.adp_individual_aniso = None
rm_dc.adp_group = None
rm_dc.group_h = None
rm_dc.adp_tls = None
rm_dc.s_occupancies = None
out = StringIO()
rm.show(log=out)
assert out.getvalue() == expected_result_all
out = StringIO()
rm_dc.show(log=out)
assert out.getvalue() == expected_result_none_false
def all_defined_1():
# 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
barr = flex.int([1, 1, 1, 0, 1, 1, 0, 0, 1, 0, 0, 0, 1, 1, 1, 1]).as_bool()
iarr = [
flex.size_t([0]),
flex.size_t([1, 2]),
flex.size_t([4, 5]),
flex.size_t([8]),
flex.size_t([12, 13, 14]),
flex.size_t([15]),
]
oarr = [
[flex.size_t([0]), flex.size_t([1, 2])],
[flex.size_t([4, 5])],
[flex.size_t([8])],
[flex.size_t([12, 13, 14]), flex.size_t([15])],
]
return refinement_flags.manager(
individual_sites=True,
torsion_angles=True,
rigid_body=True,
individual_adp=True,
group_adp=True,
tls=True,
occupancies=True,
group_anomalous=True,
sites_individual=barr,
sites_torsion_angles=barr,
sites_rigid_body=iarr,
adp_individual_iso=barr,
adp_individual_aniso=barr,
adp_group=iarr,
group_h=iarr,
adp_tls=iarr,
s_occupancies=oarr,
)
def exercise_deepcopy_show_select():
sel_all = flex.int([1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1,
1]).as_bool()
sel_none = flex.int([0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
0]).as_bool()
sel_all_true = flex.int([0, 1, 1, 0, 1, 1, 0, 1, 1, 0, 1, 1, 0, 1, 0,
0]).as_bool()
sel_all_false = flex.int([1, 0, 0, 1, 0, 0, 1, 0, 0, 1, 0, 0, 1, 0, 1,
1]).as_bool()
sel_mix = flex.int([1, 1, 0, 0, 1, 1, 0, 0, 0, 1, 1, 0, 0, 0, 1,
1]).as_bool()
#
compare(rm=all_defined(), expected_result=expected_result_all)
compare(rm=all_defined(),
expected_result=expected_result_all,
deep_copy=True)
compare(rm=all_defined(),
expected_result=expected_result_all,
selection=sel_all)
compare(rm=all_defined(),
expected_result=expected_result_none_true,
selection=sel_none)
compare(rm=all_defined(),
expected_result=expected_result_all,
selection=sel_all_true)
compare(rm=all_defined(),
expected_result=expected_result_none_true,
selection=sel_all_false)
compare(rm=all_defined(),
expected_result=expected_result_mix,
selection=sel_mix)
#
compare(rm=refinement_flags.manager(),
expected_result=expected_result_none_false)
compare(rm=refinement_flags.manager(),
expected_result=expected_result_none_false,
deep_copy=True)
compare(rm=refinement_flags.manager(),
expected_result=expected_result_none_false,
selection=sel_all)
compare(rm=refinement_flags.manager(),
expected_result=expected_result_none_false,
selection=sel_none)
compare(rm=refinement_flags.manager(),
expected_result=expected_result_none_false,
selection=sel_all_true)
compare(rm=refinement_flags.manager(),
expected_result=expected_result_none_false,
selection=sel_all_false)
compare(rm=refinement_flags.manager(),
expected_result=expected_result_none_false,
selection=sel_mix)
#
rm = all_defined()
rm_dc = rm.deep_copy()
rm_dc.individual_sites = False
rm_dc.torsion_angles = False
rm_dc.rigid_body = False
rm_dc.individual_adp = False
rm_dc.group_adp = False
rm_dc.tls = False
rm_dc.occupancies = False
rm_dc.group_anomalous = False
rm_dc.sites_individual = None
rm_dc.sites_torsion_angles = None
rm_dc.sites_rigid_body = None
rm_dc.adp_individual_iso = None
rm_dc.adp_individual_aniso = None
rm_dc.adp_group = None
rm_dc.group_h = None
rm_dc.adp_tls = None
rm_dc.s_occupancies = None
out = StringIO()
rm.show(log=out)
assert out.getvalue() == expected_result_all
out = StringIO()
rm_dc.show(log=out)
assert out.getvalue() == expected_result_none_false
