def run():
streams_off()
# test to see if sys.argv[-2] + path is a valid path - to work around
# spaced command lines
argv = CommandLine.get_argv()
if not CommandLine.get_directory():
directories = []
for arg in argv:
if os.path.isdir(arg):
directories.append(os.path.abspath(arg))
if not directories:
raise RuntimeError('directory not found in arguments')
else:
directories = [CommandLine.get_directory()]
directories = [os.path.abspath(d) for d in directories]
# perhaps move to a new directory...
settings = PhilIndex.get_python_object().xia2.settings
crystal = settings.crystal
with open(os.path.join(os.getcwd(), 'automatic.xinfo'), 'w') as fout:
start = os.path.abspath(os.getcwd())
directory = os.path.join(os.getcwd(), crystal, 'setup')
try:
os.makedirs(directory)
except OSError as e:
if not 'File exists' in str(e):
raise e
os.chdir(directory)
rummage(directories)
print_sweeps(fout)
o = comp_s[j]
m = comp_f[j]
fout.write("%f %f %f %f\n" % (s, d, o, m))
fout.close()
try:
r_comp = 1.0 / math.sqrt(interpolate_value(s_s, comp_f, rlimit))
except Exception:
r_comp = 1.0 / math.sqrt(max(s_s))
return r_comp
if __name__ == "__main__":
streams_off()
nbins = 100
m = merger(sys.argv[1])
name = os.path.split(sys.argv[1])[-1].replace(".mtz", "")
l_rmerge = "%s_rmerge" % name
l_comp = "%s_comp" % name
l_isigma = "%s_isigma" % name
l_misigma = "%s_misigma" % name
if len(sys.argv) > 2:
nbins = int(sys.argv[2])
o = comp_s[j]
m = comp_f[j]
fout.write('%f %f %f %f\n' % (s, d, o, m))
fout.close()
try:
r_comp = 1.0 / math.sqrt(
interpolate_value(s_s, comp_f, rlimit))
except:
r_comp = 1.0 / math.sqrt(max(s_s))
return r_comp
if __name__ == '__main__':
streams_off()
nbins = 100
m = merger(sys.argv[1])
name = os.path.split(sys.argv[1])[-1].replace('.mtz', '')
l_rmerge = '%s_rmerge' % name
l_comp = '%s_comp' % name
l_isigma = '%s_isigma' % name
l_misigma = '%s_misigma' % name
if len(sys.argv) > 2:
nbins = int(sys.argv[2])