Add python algorithm ConjoinGSASFiles(). Refs #4113.

Code/Mantid/Framework/PythonAPI/PythonAlgorithms/ConjoinGSASFiles.py

+"""*WIKI* 
+Conjoin several GSAS files to one single GSAS file.
+The Bank will be re-defined 
+
+
+*WIKI*"""
+
+from MantidFramework import *
+from mantidsimple import *
+import os
+
+class ConjoinGSASFiles(PythonAlgorithm):
+    def category(self):
+        """
+        """
+        return "DataHandling"
+
+    def name(self):
+        """
+        """
+        return "ConjoinGSASFiles"
+
+    def _loadGSASFile(self, filename):
+        """ Load GSAS file
+        """
+        gsasfiledict = {}
+
+        # 1. read file
+        gfile = open(filename, "r")
+        lines = gfile.readlines()
+        gfile.close()
+
+        # 2. put to different section
+        stage = "start"
+        gsasfiledict["start"] = []
+        gsasfiledict["detinfo"] = []
+        gsasfiledict["data"] = []
+        for line in lines:
+            if line.strip() == "":
+                continue
+
+            # a) Change of status
+            if line.startswith("# Total flight path"):
+                # Start detector information line
+                stage = "detinfo"
+                infolines = []
+                gsasfiledict["detinfo"].append(infolines)
+            # ENDIF
+
+            if stage == "start":
+                # Append start lines
+                gsasfiledict["start"].append(line.strip())
+
+            elif stage == "detinfo":
+                # Append information  line
+                infolines.append(line)
+
+                if line.startswith("BANK"):
+                    stage = "data"
+                    datalines = []
+                    gsasfiledict["data"].append(datalines)
+
+            elif stage == "data":
+                # Data lines
+                datalines.append(line)
+            
+            else:
+                raise NotImplementedError("")
+        # ENDFOR
+
+        return gsasfiledict
+
+
+    def __load(self, directory, instr, run, loader, exts):
+        """ Load GSAS file by run number and etc information
+        
+        Arguments:
+         - directory
+         - instr        : Short name for instrument
+         - run          : Run number
+         - exts         : List of extensions
+        """
+        for ext in exts:
+            # 1. Construct file name
+            filename = "%s_%s%s" % (instr, str(run), ext)
+            if len(directory) > 0:
+                filename = os.path.join(directory, filename)
+
+            if not os.path.exists(filename):
+                self.log().information("File %s does not exist" % (filename))
+                continue
+            else:
+                self.log().information("Load File %s" % (filename))
+            # END-IF
+
+            # 2. Load file
+            wksp = "%s_%s" % (instr, str(run))
+            try:
+                self.log().information("Trying to load '%s' to Workspace" % filename)
+                loader(filename, wksp)
+            except Exception, e:
+                self.log().error("Failed to load run %s" % str(run))              
+
+            # 3. Load file to string
+            gsasfiledict = self._loadGSASFile(filename)
+        # ENDFOR
+
+        return wksp, gsasfiledict
+
+
+    def _writeConjoinedGSASFile(self, filedicts, directory, filename):
+        """ Write all banks to a conjoined file
+        """
+        if not filename.endswith(".gsa"):
+            filename += ".gsa"
+        if len(directory) > 0:
+            filename = os.path.join(directory, filename)
+	self.log().information("Output File = %s" % (filename))
+	
+        if len(filedicts) == 0:
+            raise NotImplementedError("Not GSAS file imported")
+
+        outbuffer = ""
+
+        # 1. Header
+        for line in filedicts[0]["start"]:
+            outbuffer += line + "\n"
+
+        # 2. Body
+        bankid = 1
+        for filedict in filedicts:
+            for bid in xrange(len(filedict["detinfo"])):
+                for line in filedict["detinfo"][bid]:
+                    if line.strip().startswith("BANK"):
+                        # Rename BANK ID
+                        terms = line.split()
+                        terms[1] = str(bankid)
+                        bankid += 1
+                        line = ""
+                        for term in terms:
+                            line += "%s " % (term)
+                        line += "\n"
+                    # ENDIF
+                    outbuffer += line
+                for line in filedict["data"][bid]:
+                    outbuffer += line
+
+        # 3. Write
+        ofile = open(filename, "w")
+        ofile.write(outbuffer)
+        ofile.close()
+
+        return
+
+
+    def PyInit(self):
+        """ Declare properties
+        """
+        self.declareListProperty("RunNumbers",[0], Validator=ArrayBoundedValidator(Lower=0))
+        self.declareFileProperty("OutputFile","", FileAction.Save, ['.gsa'],
+                Description="The file conjoining all input GSAS files")
+        self.declareFileProperty("Directory", "", FileAction.OptionalDirectory)
+
+        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")
+        runs = self.getProperty("RunNumbers")
+        instr = mtd.getSettings().facility().instrument().shortName()
+        outputfilename = self.getPropertyValue("OutputFile")
+        directory = self.getPropertyValue("Directory").strip()
+
+        # 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)
+
+        return
+
+mtd.registerPyAlgorithm(ConjoinGSASFiles())