[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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