def parse_options_loop_space_groups(
argv,
call_back,
keywords=(),
symbols_to_stdout=True,
symbols_to_stderr=False,
show_cpu_times=True,
**kwds):
flags = parse_options(
argv=argv,
keywords=(
"Verbose",
"Debug",
"Threads",
"ChunkSize",
"ChunkMember",
"RandomSeed",
"AllSpaceGroups",
"ChiralSpaceGroups",
"AllSettings",
"UnusualSettings") + keywords,
case_sensitive=False)
return loop_space_groups(
argv, flags, call_back, symbols_to_stdout, symbols_to_stderr,
show_cpu_times, **kwds)
def run():
show_times = libtbx.utils.show_times()
from scitbx.python_utils import command_line
flags = command_line.parse_options(sys.argv[1:], [
"RandomSeed",
"Verbose",
])
if (not flags.RandomSeed): random.seed(0)
assert fftpack.adjust_gridding(13, 5) == 15
assert fftpack.adjust_gridding(13, 5, 6) == 18
assert fftpack.adjust_gridding_triple((13,22,34), 5) == (15,24,36)
assert fftpack.adjust_gridding_triple((13,22,34), 5, (6,10,8)) == (18,30,40)
f = fftpack.factorization(30, False)
assert f.n() == 30
assert tuple(f.factors()) == (2, 3, 5)
test_complex_to_complex(flags.Verbose)
test_real_to_complex(flags.Verbose)
test_complex_to_complex_2d(flags.Verbose)
test_complex_to_complex_3d(flags.Verbose)
test_real_to_complex_3d(flags.Verbose)
exercise_real_to_complex_padding_area()
max_transform_size = 300
test_comprehensive_cc_1d(max_transform_size)
test_comprehensive_rc_1d(max_transform_size)
show_times()
def run():
show_times = libtbx.utils.show_times()
from scitbx.python_utils import command_line
flags = command_line.parse_options(sys.argv[1:], [
"RandomSeed",
"Verbose",
])
if (not flags.RandomSeed): random.seed(0)
assert fftpack.adjust_gridding(13, 5) == 15
assert fftpack.adjust_gridding(13, 5, 6) == 18
assert fftpack.adjust_gridding_triple((13, 22, 34), 5) == (15, 24, 36)
assert fftpack.adjust_gridding_triple((13, 22, 34), 5,
(6, 10, 8)) == (18, 30, 40)
f = fftpack.factorization(30, False)
assert f.n() == 30
assert tuple(f.factors()) == (2, 3, 5)
test_complex_to_complex(flags.Verbose)
test_real_to_complex(flags.Verbose)
test_complex_to_complex_2d(flags.Verbose)
test_complex_to_complex_3d(flags.Verbose)
test_real_to_complex_3d(flags.Verbose)
exercise_real_to_complex_padding_area()
max_transform_size = 300
test_comprehensive_cc_1d(max_transform_size)
test_comprehensive_rc_1d(max_transform_size)
show_times()
def parse_options_loop_space_groups(
argv,
call_back,
keywords=(),
symbols_to_stdout=True,
symbols_to_stderr=False,
show_cpu_times=True,
**kwds):
flags = parse_options(
argv=argv,
keywords=(
"Verbose",
"Debug",
"Threads",
"ChunkSize",
"ChunkMember",
"RandomSeed",
"AllSpaceGroups",
"ChiralSpaceGroups",
"AllSettings",
"UnusualSettings") + keywords,
case_sensitive=False)
return loop_space_groups(
argv, flags, call_back, symbols_to_stdout, symbols_to_stderr,
show_cpu_times, **kwds)
for space_group_number in range(1, 231):
cmd = "cctbx.python %s" % sys.argv[0] \
+ " %d,%d,%d " % n +str(space_group_number)
print(cmd)
sys.stdout.flush()
easy_run.call(cmd)
print()
sys.stdout.flush()
if (__name__ == "__main__"):
flags = command_line.parse_options(sys.argv[1:], [
"show_asu",
"strip",
"strip_grid",
"strip_polygons",
"enantiomorphic",
"soft",
"multiplicities",
"plane_group",
])
assert len(flags.regular_args) > 0
gridding = flags.regular_args[0].split(",")
assert len(gridding) in (1, 3)
gridding = tuple([int(n) for n in gridding])
if (len(gridding) == 1): gridding *= 3
if (not os.path.isdir("asu_gallery")):
os.mkdir("asu_gallery")
if (len(flags.regular_args) == 1):
if (not flags.enantiomorphic):
test_all(gridding)
else: