Changeset 4211


Ignore:
Timestamp:
Dec 18, 2019 5:20:58 PM (2 years ago)
Author:
toby
Message:

add G2Phase.mu, correcting for assumed error in XScattDen

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIscriptable.py

    r4207 r4211  
    41774177                out[typ] = a.mult*a.occupancy
    41784178        return out
    4179            
     4179
     4180    def mu(self,wave):
     4181        '''Provides mu values for a phase at the supplied wavelength in A.
     4182        Uses GSASIImath.XScattDen which seems to be off by an order of
     4183        magnitude, which has been corrected here.
     4184        '''
     4185        import GSASIImath as G2mth
     4186        vol = self.data['General']['Cell'][7]
     4187        out = {}
     4188        for typ in self.data['General']['NoAtoms']:
     4189            if typ in out:
     4190                out[typ]['Num'] += self.data['General']['NoAtoms'][typ]
     4191            else:
     4192                out[typ] = {}
     4193                out[typ]['Num'] = self.data['General']['NoAtoms'][typ]
     4194                out[typ]['Z'] = 0 # wrong but not needed
     4195        return 10*G2mth.XScattDen(out,vol,wave)[1]
     4196   
    41804197    @property
    41814198    def density(self):
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