Source Code for Module diffpy.srrietveld.paramnames

  1  #!/usr/bin/env python 
  2  ######################################################################## 
  3  # 
  4  # diffpy.refinementdata - by DANSE Diffraction group 
  5  #                         Simon J. L. Billinge 
  6  #                         (c) 2009 Trustees of the Columbia University 
  7  #                         in the City of New York. All rights reserved. 
  8  # 
  9  # File coded by:   Yingrui Shang 
 10  # 
 11  # See AUTHORS.txt for a list of people who contributed. 
 12  # See LICENSE.txt for license information. 
 13  # 
 14  ######################################################################## 
 15   
 16  ''' 
 17  This module contains the parameter name mapping for GSAS and FullProf 
 18  The key is the access name of the parameters, and the value is the path of the  
 19  parameter, from the logic parent object. 
 20   
 21  ''' 
 22   
 23  # module version 
 24  __id__ = '$Id: paramnames.py 6728 2011-08-26 21:54:11Z yshang $' 
 25   
 26  PARAMNAMES = { 
 27      'gsas':{ 
 28              #params under refinement 
 29              'chi2':'Chi2', 
 30              'ncycle':'NCY', 
 31              #params under phase 
 32              'spacegroup':'Spacegroup', 
 33              'a':'a', 
 34              'b':'b', 
 35              'c':'c', 
 36              'alpha':'alpha', 
 37              'beta':'beta', 
 38              'gamma':'gamma', 
 39              #params under pattern 
 40              'datafile':'Datafile', 
 41              'datafile_absolute':'Datafile_abspath', 
 42              'zero':'ZERO', 
 43              'scale':'HSCALE', 
 44              'lambda':'LAM1', 
 45              'lambda1':'LAM1', 
 46              'lambda2':'LAM2', 
 47              'Rp':'Rp', 
 48              'Rwp':'Rwp', 
 49              'ratio':'KRATIO', 
 50              'step':'Step', 
 51              'Tmin':'TMIN', 
 52              'Tmax':'TMAX', 
 53              'polar':'POLA', 
 54              'polar_type':'IPOLA', 
 55              'background_type':'BTYP', 
 56              'background_coefficients':'Background.BACK', 
 57              'used':'ISUSED', 
 58              'xobs':'xobs', 
 59              'yobs':'yobs', 
 60              'ycal':'ycal', 
 61              'excluded_region':'ExcludedRegion', 
 62              #params under exluded region 
 63              'begin':'begin', 
 64              'end':'end', 
 65              #params under profile 
 66              'cut_off':'Cutoff', 
 67              'profile_type':'PTYP', 
 68              'profile_parameters':'Parameters', 
 69              #params under atom 
 70              'name':'Name', 
 71              'type':'Typ', 
 72              'occupation':'occ', 
 73              'X':'X', 
 74              'Y':'Y', 
 75              'Z':'Z', 
 76              'Uiso':'AtomicDisplacementFactor.Uiso', 
 77              'Biso':'AtomicDisplacementFactor.Biso', 
 78               
 79      }, 
 80      'fullprof':{ 
 81              #params under refinement 
 82              'chi2':'Chi2', 
 83              'ncycle':'NCY', 
 84              #params under phase 
 85              'space_group':'Spacegroup', 
 86              'a':'a', 
 87              'b':'b', 
 88              'c':'c', 
 89              'alpha':'alpha', 
 90              'beta':'beta', 
 91              'gamma':'gamma', 
 92              #params under pattern 
 93              'data_file':'Datafile', 
 94              'data_file_absolute':'Datafile_abspath', 
 95              'zero':'Zero', 
 96              'scale':'Scale', 
 97              'lambda':'Lambda', 
 98              'lambda1':'Lambda1', 
 99              'lambda2':'Lambda2', 
100              'step':'Step', 
101              'ratio':'Ratio', 
102              'Rp':'Rp', 
103              'Rwp':'Rwp', 
104              'Tmin':'Thmax', 
105              'Tmax':'Thmin', 
106              'polar':'LPFactor.Rpolarz', 
107              'polar_type':'LPFactor.Ilo', 
108              'background_type':'Nba', 
109              'background_coefficients':'Background.BCK', 
110              'used':'ISUSED', 
111              'xobs':'xobs', 
112              'yobs':'yobs', 
113              'ycal':'ycal', 
114              'excluded_region':'ExcludedRegion', 
115              #params under exluded region 
116              'begin':'begin', 
117              'end':'end', 
118              #params under profile 
119              'cut_off':'Wdt', 
120              'profile_type':'Npr', 
121              'profile_parameters':'Parameters', 
122              #params under atom 
123              'name':'Name', 
124              'type':'Typ', 
125              'occupation':'occ', 
126              'X':'X', 
127              'Y':'Y', 
128              'Z':'Z', 
129              'Uiso':'AtomicDisplacementFactor.Uiso', 
130              'Biso':'AtomicDisplacementFactor.Biso', 
131      } 
132  } 
133