Ignore:
Timestamp:
Jul 19, 2020 11:21:51 AM (15 months ago)
Author:
toby
Message:

limits bug in hist.EditSimulated?; add default for do_refinements(); fullrmc bond angles

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIscriptable.py

    r4518 r4527  
    846846                PathWrap("inst_d1a.prm"),5.,120.,Npoints=1000,
    847847                phases=gpx.phases(),scale=500000.)
    848     gpx.do_refinements([{}])   # calculate pattern
     848    gpx.do_refinements()   # calculate pattern
    849849    gpx.save()
    850850    # save results
     
    28112811            p.id = i
    28122812
    2813     def do_refinements(self, refinements, histogram='all', phase='all',
     2813    def do_refinements(self, refinements=[{}], histogram='all', phase='all',
    28142814                       outputnames=None, makeBack=False):
    28152815        """Conducts one or a series of refinements according to the
     
    28182818
    28192819        :param list refinements: A list of dictionaries specifiying changes to be made to
    2820             parameters before refinements are conducted.
     2820            parameters before refinements are conducted. 
    28212821            See the :ref:`Refinement_recipe` section for how this is defined.
     2822            If not specified, the default value is ``[{}]``, which performs a single
     2823            refinement step is performed with the current refinement settings.
    28222824        :param str histogram: Name of histogram for refinements to be applied
    28232825            to, or 'all'; note that this can be overridden for each refinement
     
    43464348            N = len(x)
    43474349            unit = 'millisec'
    4348         else:           
     4350            limits = [(1000*Tmin, 1000*Tmax), [1000*Tmin, 1000*Tmax]]
     4351        else:
    43494352            if Npoints:
    43504353                N = Npoints
     
    43564359            N = len(x)
    43574360            unit = 'degrees 2theta'
     4361            limits = [(Tmin, Tmax), [Tmin, Tmax]]
    43584362        if N < 3:
    43594363            raise G2ScriptException("Error: Range is too small or step is too large, <3 points")
     
    43674371            np.zeros_like(x), # obs-calc profiles
    43684372            ]
    4369         self.data['Limits'] = [(1000*Tmin, 1000*Tmax), [1000*Tmin, 1000*Tmax]]
     4373        self.data['Limits'] = limits
    43704374
    43714375    def getHistEntryList(self, keyname=''):
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