[GSAS-II] patch to set/query 'Reverse Seq' in scriptable

Ivo Alxneit ivo.alxneit at psi.ch
Thu Nov 21 03:24:56 CST 2019


Dear all

the patch allows to set/query 'Reverse Seq' in GASAIIscriptable like
e.g. 'seqCopy'. I assume the on-line docs are extracted from the
doc-strings. Thus I did not add any additional documentation.

gruss
-- 
Dr. Ivo Alxneit
Applied Catalysis and Spectroscopy Group
Bioenergy and Catalysis Laboratory        phone: +41 56 310 4092
Paul Scherrer Institute                     fax: +41 56 310 2688
CH-5232 Villigen                      gnupg key: 0x515E30C7
Switzerland
https://www.psi.ch/ceg/
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--- GSASIIscriptable_orig.py	2019-11-21 09:54:20.778331571 +0100
+++ GSASIIscriptable.py	2019-11-21 09:49:42.889838910 +0100
@@ -3025,6 +3025,8 @@
             * cycles: the maximum number of cycles (returns int)
             * sequential: the histograms used for a sequential refinement as a list
               of histogram names or an empty list when in non-sequential mode.
+            * Reverse Seq: returns True or False. True indicates that fitting of the
+              sequence of histograms proceeds in reversed order.
             * seqCopy: returns True or False. True indicates that results from
               each sequential fit are used as the starting point for the next
               histogram.
@@ -3038,6 +3040,8 @@
             return self.data['Controls']['data']['max cyc']
         elif control == 'sequential':
             return self.data['Controls']['data']['Seq Data']
+        elif control == 'Reverse Seq':
+            return self.data['Controls']['data']['Reverse Seq']
         elif control in self.data['Controls']['data']:
             return self.data['Controls']['data'][control]
         elif control == 'seqCopy':
@@ -3062,6 +3066,8 @@
             * seqCopy: when True, the results from each sequential fit are used as
               the starting point for the next. After each fit is is set to False.
               Ignored for non-sequential fits.
+            * Reverse Seq: when True, sequential refinement is performed on the
+              reversed list of histograms.
 
         .. seealso::
             :meth:`get_Controls`
@@ -3070,6 +3076,8 @@
             self.data['Controls']['data']['max cyc'] = int(value)
         elif control == 'seqCopy':
             self.data['Controls']['data']['Copy2Next'] = bool(value)
+        elif control == 'Reverse Seq':
+            self.data['Controls']['data']['Reverse Seq'] = bool(value)
         elif control == 'sequential':
             histlist = []
             for i,j in enumerate(value):
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