Changeset 3828

Timestamp:

Feb 22, 2019 9:35:29 AM (6 years ago)

Author:

toby

Message:

fix cif export w/unused histogram; switch 3.x imports to pickle w/warn if _pickle not available; doc fixes; scriptable enhancements

Location:

trunk

Files:

• GSASIIIO.py (modified) (1 diff)
• GSASIIdataGUI.py (modified) (1 diff)
• GSASIIscriptable.py (modified) (5 diffs)
• docs/source/imports.rst (modified) (7 diffs)
• exports/G2export_CIF.py (modified) (1 diff)
• imports/G2img_GE.py (modified) (1 diff)
• imports/G2phase_GPX.py (modified) (1 diff)
• imports/G2pwd_GPX.py (modified) (1 diff)
• testDeriv.py (modified) (1 diff)

trunk/GSASIIIO.py ¶

@@ -38 +38 @@
     import cPickle
 else:
-    import _pickle as cPickle
+    import pickle as cPickle
 import sys
 import re

trunk/GSASIIdataGUI.py ¶

@@ -30 +30 @@
     import cPickle
 else:
-    import _pickle as cPickle
+    try:
+        import _pickle as cPickle
+    except:
+        print('Warning: failed to import the optimized Py3 pickle (_pickle)')
+        import pickle as cPickle
 import numpy as np
 import numpy.ma as ma

trunk/GSASIIscriptable.py ¶

@@ -563 +563 @@
     strtypes = (str,unicode)
 else:
-    import _pickle as cPickle
+    import pickle as cPickle
     strtypes = (str,bytes)
 import imp
@@ -3210 +3210 @@
                    'SampleAbs', 'center', 'ellipses', 'linescan',
                     'pixelSize', 'range', 'ring', 'rings', 'size', ],
-        'dict': ['varylist'],
+        'dict': ['varyList'],
         }
     '''Defines the items known to exist in the Image Controls tree section 
@@ -3271 +3271 @@
         if arg in self.data['Image Controls']:
             return self.data['Image Controls'][arg]
+        print(self.findControl(''))
         raise Exception('arg {} not defined in G2Image.getControl'.format(arg))
 
@@ -3373 +3374 @@
         print('file {} read into {}'.format(filename,self.name))
         
+    def getVary(self,*args):
+        '''Return the refinement flag(s) for Image Controls parameter(s)
+        in the current image.
+        If the parameter is not found, an exception is raised.
+
+        :param str arg: the name of a refinement parameter in the 
+          varyList for the image. The name should be one of 
+          'dep', 'det-X', 'det-Y', 'dist', 'phi', 'tilt', or 'wave'
+        :param str arg1: the name of a parameter (dict entry) as before,
+          optional
+
+
+        :returns: a list of bool value(s)
+        '''
+        res = []
+        for arg in args:
+            if arg in self.data['Image Controls']['varyList']:
+                res.append(self.data['Image Controls']['varyList'][arg])
+            else:
+                raise Exception('arg {} not defined in G2Image.getVary'.format(arg))
+        return res
+    
+    def setVary(self,arg,value):
+        '''Set a refinement flag for Image Controls parameter in the 
+        current image.
+        If the parameter is not found an exception is raised.
+
+        :param str arg: the name of a refinement parameter in the 
+          varyList for the image. The name should be one of 
+          'dep', 'det-X', 'det-Y', 'dist', 'phi', 'tilt', or 'wave'
+        :param str arg: the name of a parameter (dict entry) in the 
+          image. The parameter must be found in :data:`ControlList`
+          or an exception is raised.
+        :param value: the value to set the parameter. The value is 
+          cast as the appropriate type from :data:`ControlList`.
+        '''
+        if arg in self.data['Image Controls']['varyList']:
+            self.data['Image Controls']['varyList'][arg] = bool(value)
+        else:
+            raise Exception('arg {} not defined in G2Image.setVary'.format(arg))
+
     def Recalibrate(self):
         '''Invokes a recalibration fit (same as Image Controls/Calibration/Recalibrate 
@@ -3379 +3421 @@
         This may produce a better result if run more than once.
         '''
+        LoadG2fil()
         ImageZ = GetCorrImage(Readers['Image'],self.proj,self)
         G2img.ImageRecalibrate(None,ImageZ,self.data['Image Controls'],self.data['Masks'])

trunk/docs/source/imports.rst ¶

@@ -4 +4 @@
 Imports are implemented by deriving a class from 
 :class:`GSASIIobj.ImportPhase`, :class:`GSASIIobj.ImportStructFactor`,
-:class:`GSASIIobj.ImportPowderData`
-or :class:`GSASIIIO.ImportPowderData` (which are in turn 
+:class:`GSASIIobj.ImportPowderData` ,
+:class:`GSASIIobj.ImportSmallAngleData`,  
+:class:`GSASIIobj.ImportReflectometryData`,  
+:class:`GSASIIobj.ImportPDFData`,  
+or :class:`GSASIIobj.ImportImage` (which are in turn 
 derived from :class:`GSASIIobj.ImportBaseclass`)
 to implement import of 
@@ -11 +14 @@
 Module file names (`G2phase_`, `G2pwd_` and `G2sfact_`, etc.) are used to
 determine which menu an import routine should be placed into. (N.B. this
-was an unnecessary choice; this could be done from the class used.)
-
-This list may not include all currently defined formats, since modules
-may be loaded from anywhere in the path. 
+naming was an unnecessary choice; importer types could be determined
+from the base class.)
+
+Most importers are listed below by type (provided this documentation is
+up to date), but note that since modules
+may be loaded from anywhere in the path, your installation could have
+locally-defined importers as well.
 
 .. _import_routines: 
@@ -22 +28 @@
 
 When writing a import routine, one should create a new class derived
-from :class:`GSASIIIO.ImportPhase`, :class:`GSASIIIO.ImportStructFactor`
-or :class:`GSASIIIO.ImportPowderData`. As described below, 
+from
+:class:`GSASIIobj.ImportPhase`, :class:`GSASIIobj.ImportStructFactor`,
+:class:`GSASIIobj.ImportPowderData` ,
+:class:`GSASIIobj.ImportSmallAngleData`,  
+:class:`GSASIIobj.ImportReflectometryData`,  
+:class:`GSASIIobj.ImportPDFData`,  
+or :class:`GSASIIobj.ImportImage`. As described below, 
 all these classes will implement
 an ``__init__()`` and a ``Reader()`` method, and most will supply a 
 ``ContentsValidator()`` method, too.
-See the :class:`~GSASIIIO.ImportPhase`,
-:class:`~GSASIIIO.ImportStructFactor`,
-:class:`~GSASIIIO.ImportPowderData`
-or :class:`~GSASIIIO.ImportImage` class documentation 
+See the appropriate class documentation 
 for details on what values each type of ``Reader()`` should set. 
 
@@ -112 +120 @@
 
 If the file cannot be read,  the ``Reader`` routine should
-return False or raise an :class:`GSASIIIO.ImportBaseclass.ImportException`
+return False or raise an :class:`GSASIIobj.ImportBaseclass.ImportException`
 exception. (Why either? Sometimes an exception is the easiest way to
 bail out of a called routine.) Place text in `self.errors` and/or use:: 
@@ -173 +181 @@
   called. 
 
-Note that :meth:`GSASIIIO.ImportBaseclass.CIFValidator` is a ContentsValidator
+Note that :meth:`GSASIIobj.ImportBaseclass.CIFValidator` is a ContentsValidator
 for validating CIF files. 
 
@@ -300 +308 @@
 -----------------------------------------------------
 Image import routines are classes derived from
-:class:`GSASIIIO.ImportImage`. 
+:class:`GSASIIobj.ImportImage`. 
 See :ref:`Writing a Import Routine<import_routines>` for general
 information on importers and the :class:`GSASIIobj.ImportImage` for
@@ -340 +348 @@
     :members: 
 
+.. automodule:: G2img_SFRM
+    :members: 
+       
 PDF Import Routines
 -----------------------------------------------------

trunk/exports/G2export_CIF.py ¶

@@ -635 +635 @@
             for histogram in sorted(phasedict['Histograms']):
                 if histogram.startswith("HKLF"): continue # powder only
+                if not self.Phases[phasenam]['Histograms'][histogram]['Use']: continue
                 Histogram = self.Histograms.get(histogram)
                 if not Histogram: continue

trunk/imports/G2img_GE.py ¶

@@ -127 +127 @@
         import cPickle
     else:
-        import _pickle as cPickle
+        import pickle as cPickle
     import time
     more = False

trunk/imports/G2phase_GPX.py ¶

@@ -21 +21 @@
     import cPickle
 else:
-    import _pickle as cPickle
+    import pickle as cPickle
 import random as ran
 import GSASIIobj as G2obj

trunk/imports/G2pwd_GPX.py ¶

@@ -18 +18 @@
     import cPickle
 else:
-    import _pickle as cPickle
+    import pickle as cPickle
 import numpy as np
 import GSASIIobj as G2obj

trunk/testDeriv.py ¶

@@ -28 +28 @@
     import StringIO
 else:
-    import _pickle as cPickle
+    import pickle as cPickle
     import io as StringIO
 import cProfile,pstats