Changeset 3098

Timestamp:

Sep 25, 2017 2:11:37 PM (6 years ago)

Author:

toby

Message:

fix powder data import errors with G2scriptable

Location:

trunk

Files:

• GSASIIscriptable.py (modified) (5 diffs)
• imports/G2pwd_BrukerRAW.py (modified) (5 diffs)
• imports/G2pwd_CIF.py (modified) (1 diff)
• imports/G2pwd_FP.py (modified) (1 diff)
• imports/G2pwd_csv.py (modified) (1 diff)
• imports/G2pwd_xye.py (modified) (1 diff)

trunk/GSASIIscriptable.py

@@ -184 +184 @@
                                              of 'axial' or 'equatorial'. If boolean
                                              given sets both axial and equatorial.
-Pref.Ori.                                    Boolean, whether to refine
-Show                                         Boolean, whether to refine
+Pref.Ori.                                    Boolean, True to refine
+Show                                         Boolean, True to refine
 Size                                         Not implemented
-Use                                          Boolean, whether to refine
-Scale                                        Boolean, whether to refine
+Use                                          Boolean, True to refine
+Scale                                        Phase fraction; Boolean, True to refine
 ===================== =====================  ====================
 
@@ -631 +631 @@
                 block += 1
                 rd.objname = os.path.basename(filename)
-                flag = rd.Reader(filename, fp, buffer=rdbuffer, blocknum=block)
+                try:
+                    flag = rd.Reader(filename, fp, buffer=rdbuffer, blocknum=block)
+                except:
+                    flag = False
                 if flag:
                     # Omitting image loading special cases
@@ -638 +641 @@
                     repeat = rd.repeat
                 else:
-                    raise G2ImportException("{}.Reader() returned:".format(rd),
-                                            flag)
-
+                    if GSASIIpath.GetConfigValue('debug'): print("{} Reader failed to read {}".format(rd.formatName,filename))
             if rd_list:
                 if rd.warnings:
                     print("Read warning by", rd.formatName, "reader:",
                           rd.warnings, file=sys.stderr)
+                else:
+                    print("{} read by Reader {}\n".format(filename,rd.formatName))                    
                 return rd_list
     raise G2ImportException("No reader could read file: " + filename)
@@ -924 +927 @@
 
         Automatically checks for an instrument parameter file, or one can be
-        provided.
+        provided. Note that in unix fashion, "~" can be used to indicate the
+        home directory (e.g. ~/G2data/data.fxye).
 
         :param str datafile: The powder data file to read, a filename.
@@ -973 +977 @@
         phasereaders = import_generic(phasefile, PhaseReaders)
         phasereader = phasereaders[0]
-
+        
         phasename = phasename or phasereader.Phase['General']['Name']
         phaseNameList = [p.name for p in self.phases()]

trunk/imports/G2pwd_BrukerRAW.py

@@ -15 +15 @@
 '''
 
-import sys
+#import sys
 import os.path as ospath
 import struct as st
@@ -62 +62 @@
         'Read a Bruker RAW file'
         self.comments = []
-        self.repeat = True
         self.powderentry[0] = filename
         File = open(filename,'rb')
@@ -102 +101 @@
                 if blockNum == nBlock:
                     self.repeat = False                                   
+                else:
+                    self.repeat = True
             File.close()
         elif 'ver. 3' in self.formatName:
@@ -154 +155 @@
                     File.seek(pos)
                 if blockNum == nBlock:
-                    self.repeat = False                                   
+                    self.repeat = False
+                else:
+                    self.repeat = True
             File.close()
             
@@ -189 +192 @@
             self.powderdata = [x,y,w,np.zeros(nSteps),np.zeros(nSteps),np.zeros(nSteps)]
             File.close()
+        else:
+            return False
             
         return True

trunk/imports/G2pwd_CIF.py

@@ -94 +94 @@
             selections = rdbuffer.get('selections')
         if cf is None:
-            print "Starting parse of CIF file"
+            if GSASIIpath.GetConfigValue('debug'): print("Starting parse of {} as CIF".format(filename))
             cf = G2obj.ReadCIF(filename)
-            print "CIF file parsed"
+            if GSASIIpath.GetConfigValue('debug'): print "CIF file parsed"
         # scan all blocks for sets of data
         if choicelist is None:

trunk/imports/G2pwd_FP.py

@@ -126 +126 @@
             except ValueError:
                 msg = 'Error parsing number in line '+str(i+1)
-                print msg
-                print S
+                if GSASIIpath.GetConfigValue('debug'):
+                    print msg
+                    print S.strip()
                 break
             except:
                 msg = 'Error in line '+str(i+1)
-                print msg
-                print S
+                if GSASIIpath.GetConfigValue('debug'):
+                    print msg
+                    print S.strip()
                 break
         N = len(x)

trunk/imports/G2pwd_csv.py

@@ -82 +82 @@
                 msg = 'Error in line '+str(i+1)
             if err and i > 0:
-                print msg
-                print S
+                if GSASIIpath.GetConfigValue('debug'):
+                    print msg
+                    print S.strip()
                 break
         N = len(x)

trunk/imports/G2pwd_xye.py

@@ -133 +133 @@
             except ValueError:
                 msg = 'Error parsing number in line '+str(i+1)
-                print msg
-                print S
+                if GSASIIpath.GetConfigValue('debug'):
+                    print msg
+                    print S.strip()
                 break
             except:
                 msg = 'Error in line '+str(i+1)
-                print msg
-                print S
+                if GSASIIpath.GetConfigValue('debug'):
+                    print msg
+                    print S.strip()
                 break
         N = len(x)