diff --git a/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/ConjoinGSASFiles.py b/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/ConjoinGSASFiles.py
index b631dc4e77f4be81062cefc2b53dd29cceafa5f0..ab30682d74d168ecb63776aa3647fe1a4a0b82da 100644
--- a/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/ConjoinGSASFiles.py
+++ b/Code/Mantid/Framework/PythonAPI/PythonAlgorithms/ConjoinGSASFiles.py
@@ -71,6 +71,36 @@ class ConjoinGSASFiles(PythonAlgorithm):
return gsasfiledict
+ def __loadGSASFile(self, filename, workspacename, loader):
+ """ Load GSAS file
+
+ Arguments:
+ - filename
+ - loader
+ """
+ # 1. Construct file name
+ if not os.path.exists(filename):
+ self.log().information("File %s does not exist" % (filename))
+ return
+ else:
+ self.log().information("Load File %s" % (filename))
+ # END-IF
+
+ # 2. Load file
+ try:
+ self.log().information("Trying to load '%s' to Workspace" % filename)
+ loader(filename, workspacename)
+ except Exception, e:
+ self.log().error("Failed to load run %s" % str(run))
+
+ # 3. Load title
+ gfile = open(filename, "r")
+ title = gfile.readline()
+ gfile.close()
+
+ return title
+
+
def __load(self, directory, instr, run, loader, exts):
""" Load GSAS file by run number and etc information
@@ -156,58 +186,114 @@ class ConjoinGSASFiles(PythonAlgorithm):
def PyInit(self):
""" Declare properties
"""
+ instruments=["POWGEN", "NOMAD", "VULCAN"]
+ self.declareProperty("Instrument", "POWGEN", Validator=ListValidator(instruments),
+ Description="Powder diffractometer's name")
self.declareListProperty("RunNumbers",[0], Validator=ArrayBoundedValidator(Lower=0))
self.declareFileProperty("OutputFile","", FileAction.Save, ['.gsa'],
Description="The file conjoining all input GSAS files")
+ self.declareProperty("Workspace", True,
+ Description="GSAS file will be made from existing Workspaces")
self.declareFileProperty("Directory", "", FileAction.OptionalDirectory)
+ self.declareProperty("ForPDFgetN", True,
+ Description="Output file is for PDFgetN")
+ self.declareProperty("MonitorValue", 2.0,
+ Description="Monitor value for PDFgetN. Default = 2.0")
return
- # def TestExec(self):
- # """ Main exec
- # """
- # # generic stuff for running
- # # wksp = self.getPropertyValue("OutputWorkspace")
- # runs = [4866, 4871]
- # instr = mtd.getSettings().facility().instrument().shortName()
- # outputfilename = "glued"
- # directory = "/home/wzz/Projects/Mantid-Project/Tests/Instrument"
-
- # # change here if you want something other than gsas files
- # exts = ['.gsa']
- # loader = LoadGSS
-
- # # load things and conjoin them
- # filedicts = []
- # for run in runs:
- # run = str(run)
- # wksp, gsasfiledict = self.__load(directory, instr, run, loader, exts)
- # filedicts.append(gsasfiledict)
-
- # self._writeConjoinedGSASFile(filedicts, directory, outputfilename)
def PyExec(self):
""" Main exec
"""
- # generic stuff for running
- # wksp = self.getPropertyValue("OutputWorkspace")
+ # 1. Get property
+ instrument = self.getProperty("Instrument")
runs = self.getProperty("RunNumbers")
- instr = mtd.getSettings().facility().instrument().shortName()
+ useworkspace = self.getProperty("Workspace")
+ forpdfgetn = self.getProperty("ForPDFgetN")
outputfilename = self.getPropertyValue("OutputFile")
directory = self.getPropertyValue("Directory").strip()
+ monitorvalue = self.getProperty("MonitorValue")
+
+ instrumentheader = ""
+ if instrument == "NOMAD":
+ instrumentheader = "NOM"
+ elif instrument == "POWGEN":
+ instrumentheader = "PG3"
+ elif instrument == "VULCAN":
+ instrumentheader = "VUL"
+ else:
+ raise NotImplementedError("Impossible to have instrument name not defined")
+
+ # 2. Load GSAS file if necessary
+ joinedtitle = ""
+ if useworkspace is not True:
+ ext = ".gsa"
+ for irun in xrange(len(runs)):
+ # a) File name
+ filename = "%s_%s%s" % (instrumentheader, str(runs[irun]), ext)
+ if len(directory) > 0:
+ filename = os.path.join(directory, filename)
+ # b) Workspace
+ wksp = "%s_%s" % (instrumentheader, str(runs[irun]))
+ # c) Load
+ loader = LoadGSS
+ title = self.__loadGSASFile(filename, wksp, loader)
+ if len(joinedtitle) == 0:
+ joinedtitle = title
+ # ENDFOR
+ # ENDIF
+
+ # 2. Get Workspaces
+ dataworkspaces = []
+ # Using workspaces
+ for irun in xrange(len(runs)):
+ wsname = instrumentheader + "_" + str(runs[irun])
+ ws = mtd[wsname]
+ if ws is None:
+ raise NotImplementedError("Workspace %s for instrument %s run %d is not in data service" % (wsname, instrument, runs[irun]))
+ dataworkspaces.append(ws)
+ # ENDFOR
+
+ # 3. Write out
+ print "Write Workspace %s" % (str(dataworkspaces[0]))
+ SaveGSS(InputWorkspace=dataworkspaces[0], FileName=outputfilename, SplitFiles="False",
+ Append=False, Bank=1, Format="SLOG", MultiplyByBinWidth=False)
+
+ for iw in xrange(1, len(dataworkspaces)):
+ print "Write workspace %s" % (str(dataworkspaces[iw]))
+ SaveGSS(InputWorkspace=dataworkspaces[iw], FileName=outputfilename, SplitFiles="False",
+ Append=True, Bank=iw+1, Format="SLOG", MultiplyByBinWidth=False)
+ # ENDFOR
+
+ # 4. PDFgetN special
+ if forpdfgetn is True:
+ # Add monitor
+ ofile = open(outputfilename, "r")
+ lines = ofile.readlines()
+ ofile.close()
- # change here if you want something other than gsas files
- exts = ['.gsa']
- loader = LoadGSS
+ monitorterm = "Monitor: %f" % (monitorvalue)
+ monitorline = "%-80s\n" % (monitorterm)
+ lines.insert(1, monitorline)
- # load things and conjoin them
- filedicts = []
- for run in runs:
- run = str(run)
- wksp, gsasfiledict = self.__load(directory, instr, run, loader, exts)
- filedicts.append(gsasfiledict)
+ # Title
+ if len(joinedtitle) > 0:
+ lines.pop(0)
+ lines.insert(0, joinedtitle)
- self._writeConjoinedGSASFile(filedicts, directory, outputfilename)
+ wbuf = ""
+ for line in lines:
+ wbuf += line
+
+ ofile = open(outputfilename, "w")
+ ofile.write(wbuf)
+ ofile.close()
+
+
+ # self._writeConjoinedGSASFile(filedicts, directory, outputfilename)
+ # wksp = self.getPropertyValue("OutputWorkspace")
+ # instr = mtd.getSettings().facility().instrument().shortName()
return