#xp = XParam() #xp.SPOT_RANGE = [2, 12],[44, 54] #print xp.SPOT_RANGE #xp.SPOT_RANGE = "2 12", "44 54" #xp.DATA_RANGE = 8, 8 #xp.INCLUDE_RESOLUTION_RANGE= 70.0, 2.0 #xp.NBX = 3 #xp.NBY = 3 if "-a" in sys.argv: sys.argv.remove('-a') xp.update(getProfilRefPar()) xp["JOB"] = "DEFPIX", "INTEGRATE", "CORRECT" xp["REFINE_INTEGRATE"] = "ORIENTATION", "BEAM", "CELL" #"DISTANCE", shutil.copyfile("GXPARM.XDS","XPARM.XDS") if "-i" in sys.argv: optid = sys.argv.index("-i") _xds_input = sys.argv[optid+1] xp.update(xdsInp2Param(inp_str=_xds_input)) sys.argv.remove('-i') sys.argv.remove(_xds_input) if "-norun" in sys.argv: saveLastVersion(LP_names) sys.exit() else: ARGV = sys.argv[1:] while ARGV: ARG = ARGV.pop() xp.update(xdsInp2Param(inp_str=ARG)) run_xds(xp, inp_f="XDS.INP") saveLastVersion(LP_names)
_mkdir(head) if tail: os.mkdir(newdir) def make_xds_input(image_name): try: image_name_real = os.path.realpath(image_name) datacoll = XIO.Collect(image_name_real) datacoll.interpretImage() datacoll.lookup_imageRanges() except XIO.XIOError: print "\nError while trying to acceess %s.\nSorry." % filename sys.exit() newPar = datacoll.export("xds") newPar.pop("SPECIFIC_KEYWORDS") newPar["JOB"] = "XYCORR", "INIT" newPar["BACKGROUND_RANGE"] = newPar["DATA_RANGE"] TMPL = datacoll.get_export_template("xds") newDir = DIRNAME_PREFIX + datacoll.prefix return TMPL, newPar, newDir if __name__ == '__main__': tmpl, par, new_dir = make_xds_input(sys.argv[1]) mkdir(new_dir) os.chdir(new_dir) opWriteCl("XDS.INP", tmpl[:-25] % par) run_xds(par, inp_f="XDS.INP") saveLastVersion(LP_names)