def calculate_observations(detector, goniometer, oscillation):
calculate_miller_rings(detector)
import time
t = time.clock()
r = tools.determine_miller_ring_sectors(detector, goniometer, s0,
possible_hkl_flex,
crystal_A)
sc = scorings
print(
map(
lambda x: tools.geometric_scoring(
[hkl_to_id[hkl] for hkl in x], sc)["total"],
r,
))
sc = tools.geometric_scoring([hkl_to_id[hkl] for hkl in r[4]],
scorings)["scorings"]
sc = tools.geometric_scoring([hkl_to_id[hkl] for hkl in r[5]],
sc)["scorings"]
sc = tools.geometric_scoring([hkl_to_id[hkl] for hkl in r[6]],
sc)["scorings"]
print(
map(
lambda x: tools.geometric_scoring(
[hkl_to_id[hkl] for hkl in x], sc)["total"],
r,
))
print(time.clock() - t)
print(map(len, r))
sys.exit(0)
def calculate_observations(detector, goniometer, oscillation):
calculate_miller_rings(detector)
import time
t = time.clock()
r = tools.determine_miller_ring_sectors(detector, goniometer, s0, possible_hkl_flex, crystal_A)
sc = scorings
print map(lambda(x): tools.geometric_scoring([hkl_to_id[hkl] for hkl in x], sc)['total'], r)
sc = tools.geometric_scoring([hkl_to_id[hkl] for hkl in r[4]], scorings)['scorings']
sc = tools.geometric_scoring([hkl_to_id[hkl] for hkl in r[5]], sc)['scorings']
sc = tools.geometric_scoring([hkl_to_id[hkl] for hkl in r[6]], sc)['scorings']
print map(lambda(x): tools.geometric_scoring([hkl_to_id[hkl] for hkl in x], sc)['total'], r)
print time.clock() -t
print map(len, r)
sys.exit(0)
def calculate_miller_rings(detector):
import time
t = time.clock()
mrings = {}
for scan_axis in ["phi", "omega"]:
mrings[scan_axis] = {}
for other_axis in range(0, 360, 10):
gonio = goniometer_factory.make_kappa_goniometer(
alpha=54.7356, # fixed magic angle
kappa=0, # fixed 0 kappa
phi=0 if scan_axis == "phi" else other_axis,
omega=0 if scan_axis == "omega" else other_axis,
direction="-y",
scan_axis=scan_axis,
)
ring = tools.determine_miller_ring_sectors(
detector, gonio, s0, possible_hkl_flex, crystal_A)
mrings[scan_axis][other_axis] = ring
print(time.clock() - t)
print(list(mrings.iterkeys()))
print([list(x.iterkeys()) for x in mrings.itervalues()])
t = time.clock()
sc = scorings
all_scorings = {
"%s:%s:%s" % (scan, str(x1), str(x2)): tools.geometric_scoring(
[hkl_to_id[hkl] for hkl in mrings[scan][x1][x2]],
sc)["total"]
for scan in mrings.iterkeys()
for x1 in mrings[scan].iterkeys() for x2 in range(0, 36)
}
# print list(all_scorings.itervalues())
print(
len(list(all_scorings.itervalues())),
min(all_scorings.itervalues()),
max(all_scorings.itervalues()),
sum(all_scorings.itervalues()) /
len(list(all_scorings.itervalues())),
)
print(time.clock() - t)
sys.exit(0)
def calculate_miller_rings(detector):
import time
t = time.clock()
mrings = {}
for scan_axis in ['phi', 'omega']:
mrings[scan_axis] = {}
for other_axis in range(0, 360, 10):
gonio = goniometer_factory.make_kappa_goniometer(alpha=54.7356, # fixed magic angle
kappa=0, # fixed 0 kappa
phi=0 if scan_axis == "phi" else other_axis,
omega=0 if scan_axis == "omega" else other_axis,
direction="-y",
scan_axis=scan_axis)
ring = tools.determine_miller_ring_sectors(detector, gonio, s0, possible_hkl_flex, crystal_A)
mrings[scan_axis][other_axis] = ring
print time.clock() - t
print list(mrings.iterkeys())
print [ list(x.iterkeys()) for x in mrings.itervalues() ]
