Changeset 3809

Timestamp:

Feb 3, 2019 10:35:00 AM (5 years ago)

Author:

toby

Message:

update scriptable to handle banks in data/inst files

Location:

trunk

Files:

• GSASIIIO.py (modified) (4 diffs)
• GSASIIscriptable.py (modified) (10 diffs)

trunk/GSASIIIO.py

@@ -604 +604 @@
         return
     LastSavedUsing = None
-    file = open(G2frame.GSASprojectfile,'rb')
+    filep = open(G2frame.GSASprojectfile,'rb')
     if showProvenance: print ('loading from file: '+G2frame.GSASprojectfile)
     wx.BeginBusyCursor()
@@ -611 +611 @@
             try:
                 if '2' in platform.python_version_tuple()[0]:
-                    data = cPickle.load(file)
+                    data = cPickle.load(filep)
                 else:
-                    data = cPickle.load(file,encoding='latin-1')
+                    data = cPickle.load(filep,encoding='latin-1')
             except EOFError:
                 break
@@ -667 +667 @@
                 if Data['setDefault']:
                     G2frame.imageDefault = Data                
-        file.close()
         if LastSavedUsing:
             print('GPX load successful. Last saved with GSAS-II revision '+LastSavedUsing)
@@ -683 +682 @@
         msg.ShowModal()
     finally:
+        filep.close()
         wx.EndBusyCursor()
         G2frame.Status.SetStatusText('Mouse RB drag/drop to reorder',0)

trunk/GSASIIscriptable.py

@@ -957 +957 @@
     pass
 
-def import_generic(filename, readerlist, fmthint=None):
+def import_generic(filename, readerlist, fmthint=None, bank=None):
     """Attempt to import a filename, using a list of reader objects.
 
@@ -979 +979 @@
             # Initialize reader
             rd.selections = []
+            if bank is None:
+                rd.selections = []
+            else:
+                rd.selections = [bank-1]
             rd.dnames = []
             rd.ReInitialize()
@@ -985 +989 @@
             if not rd.ContentsValidator(filename):
                 # Report error
-                pass
+                print("Warning: File {} has a validation error, continuing".format(filename))
             if len(rd.selections) > 1:
-                # Select data?
-                # GSASII.py:543
-                raise G2ImportException("Not sure what data to select")
+                raise G2ImportException("File {} has {} banks. Specify which bank to read with databank param."
+                                .format(filename,len(rd.selections)))
 
             block = 0
@@ -1013 +1016 @@
                     print("Read warning by", rd.formatName, "reader:",
                           rd.warnings, file=sys.stderr)
+                elif bank is None:
+                    print("{} read by Reader {}"
+                              .format(filename,rd.formatName))
                 else:
-                    print("{} read by Reader {}\n".format(filename,rd.formatName))                    
+                    print("{} block # {} read by Reader {}"
+                              .format(filename,bank,rd.formatName))
                 return rd_list
     raise G2ImportException("No reader could read file: " + filename)
 
 
-def load_iprms(instfile, reader):
+def load_iprms(instfile, reader, bank=None):
     """Loads instrument parameters from a file, and edits the
     given reader.
@@ -1030 +1037 @@
     if ext.lower() == '.instprm':
         # New GSAS File, load appropriately
+        # this likely needs some work as there can now be more than one bank
         with open(instfile) as f:
             lines = f.readlines()
-        bank = reader.powderentry[2]
+        bank = reader.powderentry[2] # this may not be the right entry to use
         numbanks = reader.numbanks
         iparms = G2fil.ReadPowderInstprm(lines, bank, numbanks, reader)
@@ -1050 +1058 @@
             Iparm[line[:12]] = line[12:-1]
     ibanks = int(Iparm.get('INS   BANK  ', '1').strip())
-    if ibanks == 1:
+    if bank is not None:
+        # pull out requested bank # bank from the data, and change the bank to 1
+        Iparm,IparmC = {},Iparm
+        for key in IparmC:
+            if 'INS' not in key[:3]: continue   #skip around rubbish lines in some old iparm
+            if key[4:6] == "  ":
+                Iparm[key] = IparmC[key]
+            elif int(key[4:6].strip()) == bank:
+                Iparm[key[:4]+' 1'+key[6:]] = IparmC[key]            
+        reader.instbank = bank
+    elif ibanks == 1:
         reader.instbank = 1
-        reader.powderentry[2] = 1
-        reader.instfile = instfile
-        reader.instmsg = instfile + ' bank ' + str(reader.instbank)
-        return G2fil.SetPowderInstParms(Iparm, reader)
-    # TODO handle >1 banks
-    raise NotImplementedError("Check GSASIIfiles.py: ReadPowderInstprm")
-
-def load_pwd_from_reader(reader, instprm, existingnames=[]):
+    else: 
+        raise G2ImportException("Instrument parameter file has {} banks, select one with instbank param."
+                                    .format(ibanks))
+    reader.powderentry[2] = 1
+    reader.instfile = instfile
+    reader.instmsg = instfile + ' bank ' + str(reader.instbank)
+    return G2fil.SetPowderInstParms(Iparm, reader)
+
+def load_pwd_from_reader(reader, instprm, existingnames=[],bank=None):
     """Loads powder data from a reader object, and assembles it into a GSASII data tree.
 
@@ -1072 +1091 @@
         Iparm1, Iparm2 = instprm
     except ValueError:
-        Iparm1, Iparm2 = load_iprms(instprm, reader)
-
+        Iparm1, Iparm2 = load_iprms(instprm, reader, bank=bank)
+        print('Instrument parameters read:',reader.instmsg)
     Ymin = np.min(reader.powderdata[1])
     Ymax = np.max(reader.powderdata[1])
@@ -1300 +1319 @@
         SaveDictToProjFile(self.data, self.names, self.filename)
 
-    def add_powder_histogram(self, datafile, iparams, phases=[], fmthint=None):
+    def add_powder_histogram(self, datafile, iparams, phases=[], fmthint=None,
+                                 databank=None, instbank=None):
         """Loads a powder data histogram into the project.
 
@@ -1315 +1335 @@
           importers consistent with the file extension will be tried
           (equivalent to "guess format" in menu).
+        :param int databank: Specifies a dataset number to read, if file contains 
+          more than set of data. This should be 1 to read the first bank in 
+          the file (etc.) regardless of the number on the Bank line, etc.
+          Default is None which means there should only be one dataset in the 
+          file. 
+        :param int instbank: Specifies an instrument parameter set to read, if 
+          the instrument parameter file contains more than set of parameters. 
+          This will match the INS # in an GSAS type file so it will typically 
+          be 1 to read the first parameter set in the file (etc.) 
+          Default is None which means there should only be one parameter set 
+          in the file.
 
         :returns: A :class:`G2PwdrData` object representing
@@ -1322 +1353 @@
         datafile = os.path.abspath(os.path.expanduser(datafile))
         iparams = os.path.abspath(os.path.expanduser(iparams))
-        pwdrreaders = import_generic(datafile, PwdrDataReaders,fmthint=fmthint)
+        pwdrreaders = import_generic(datafile, PwdrDataReaders,fmthint=fmthint,bank=databank)
         histname, new_names, pwdrdata = load_pwd_from_reader(
                                           pwdrreaders[0], iparams,
-                                          [h.name for h in self.histograms()])
+                                          [h.name for h in self.histograms()],bank=instbank)
         if histname in self.data:
             print("Warning - redefining histogram", histname)