def __init__(self,
filename="",
run_dir="",
verbose=False,
raiseErrors=True):
""" Extract relevant data from resum_scaling function in xupy
"""
from xupy import resum_scaling
self.resolution = []
self.CChalf = []
self.s = []
self.vector = []
self.HighResCChalf = float()
self.HighRes = float()
if not run_dir:
run_dir = "./"
self.run_dir = run_dir
#
full_filename = os.path.join(self.run_dir, filename)
#
if filename:
try:
fp = open(full_filename, "r")
self.lp = fp.read()
fp.close()
except:
raise IOError, "Can't read file: %s" % full_filename
else:
self.lp = ""
if full_filename.count("CORRECT.LP"):
self.s = resum_scaling(lpf=os.path.join(run_dir, "CORRECT.LP"))
self.get_XDS_CChalf()
else:
if filename:
raise IOError, "Don't know how to parse file: %s" % \
full_filename
f = open("XSCALE.INP","w")
f.write(template_str % refdic)
f.write(" MERGE=FALSE\n\n")
for file in xds_input_files:
hklf = XDSReflectionFile(file)
f.write(" INPUT_FILE= %s\n" % file)
f.write(" INCLUDE_RESOLUTION_RANGE= %s\n" % hklf.header["INCLUDE_RESOLUTION_RANGE"])
f.write(" FRIEDEL'S_LAW= %s\n" % hklf.header["FRIEDEL'S_LAW"])
f.write(" ! CORRECTIONS= DECAY MODULATION ABSORPTION\n")
f.close()
exec_prog("%s" % (xscale_exec), stdout=None, stderr="xupy.stderr")
s = resum_scaling(lpf="XSCALE.LP")
if not s:
print "\nERROR while running XSCALE"
sys.exit()
#else:
# print s
print _fmt_final_stat % vars(s)
if s.absent:
print _fmt_AbsIav % vars(s)
if ["FRIEDEL'S_LAW"] == "FALSE":
print _fmt_anomal % vars(s)
sys.exit()
f.write(" INPUT_FILE= %s\n" % hklf.fileName)
if resolution:
res_range = "100 %.3f" % (resolution)
f.write(" INCLUDE_RESOLUTION_RANGE= %s\n" % res_range)
elif "INCLUDE_RESOLUTION_RANGE" in hklf.header:
f.write(" INCLUDE_RESOLUTION_RANGE= %s\n" % \
hklf.header["INCLUDE_RESOLUTION_RANGE"])
f.write(" FRIEDEL'S_LAW= %s\n" % hklf.header["FRIEDEL'S_LAW"])
if scale == 0:
f.write(" CORRECTIONS= NONE\n")
else:
f.write(" ! CORRECTIONS= DECAY MODULATION ABSORPTION\n")
f.close()
exec_prog("%s" % (xscale_exec), stdout=None, stderr="xupy.stderr")
s = resum_scaling(lpf="XSCALE.LP")
if not s:
print "\nERROR while running XSCALE"
sys.exit()
#else:
# print s
print _fmt_final_stat % vars(s)
if s.absent:
print _fmt_AbsIav % vars(s)
if ["FRIEDEL'S_LAW"] == "FALSE":
print _fmt_anomal % vars(s)
sys.exit()
#### Default values
float_arg = []
result.sort()
return result
if __name__ == '__main__':
digit_template = ".???"
if "-old" in sys.argv:
digit_template = ".*"
sys.argv.remove("-old")
facteur_names = " "
for a in facteur_repr:
fmt = a[2].split(".")[0].replace("d", "") + "s"
facteur_names += ((fmt % a[0]) + " ")
print facteur_names
if len(sys.argv) >= 2:
file_list = sys.argv[1:]
else:
file_list = list_lp("CORRECT.LP" + digit_template)
#print " "+len(facteur_names)*"%7s" % tuple(facteur_names)
for lp in file_list:
stat = xupy.resum_scaling(lpf=lp)
print "%3s" % (lp.split(".")[-1]),
if not stat:
print "Error in CORRECT."
continue
for k in facteur_repr:
print k[2] % stat[k[1]],
print
for name in names:
if fnmatch.fnmatch(name, pattern) and os.path.isfile(name):
result.append(name)
result.sort()
return result
if __name__ == '__main__':
digit_template = ".???"
if "-old" in sys.argv:
digit_template = ".*"
sys.argv.remove("-old")
facteur_names = " "
for a in facteur_repr:
fmt = a[2].split(".")[0].replace("d","")+"s"
facteur_names += ((fmt % a[0]) + " ")
print facteur_names
if len(sys.argv) >= 2:
file_list = sys.argv[1:]
else:
file_list = list_lp("CORRECT.LP"+digit_template)
#print " "+len(facteur_names)*"%7s" % tuple(facteur_names)
for lp in file_list:
stat = xupy.resum_scaling(lpf=lp)
print "%3s" % (lp.split(".")[-1]),
if not stat: print "Error in CORRECT."; continue
for k in facteur_repr:
print k[2] % stat[k[1]],
print
