Changeset 6808ffe in sasmodels


Ignore:
Timestamp:
Mar 28, 2019 11:14:16 AM (4 months ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, ticket-1257-vesicle-product, ticket_1156, ticket_822_more_unit_tests
Children:
2ed7de0
Parents:
f691fac
Message:

some cleanup on sphere tests

File:
1 edited

Legend:

Unmodified
Added
Removed
  • sasmodels/models/sphere.py

    ra430f5f r6808ffe  
    4949---------------------------- 
    5050 
    51 * **Author:**  
    52 * **Last Modified by:**  
     51* **Author:** 
     52* **Last Modified by:** 
    5353* **Last Reviewed by:** S King and P Parker **Date:** 2013/09/09 and 2014/01/06 
    5454* **Source added by :** Steve King **Date:** March 25, 2019 
     
    9696      "radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, 
    9797     0.2, 0.2288431], 
    98     [{"radius": 120., "radius_pd": 0.02, "radius_pd_n":45}, 
    99      0.2, 792.0646662454202, [1166737.0473152], 120.0, 7246723.820358589, 1.0], # the longer list here checks  F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars) 
    100     #          But note P(Q) = F2/volume,  F1 and F2 are vectors, for some reason only F2 needs square brackets 
    101     #          BUT what is scaling of F1 ???  At low Pd F2 ~ F1^2 ? 
    102    [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, 
    103      0.2, 1.233304061, [1850806.119736], 120.0, 8087664.1226, 1.0], # the longer list here checks  F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars) 
     98    [{"radius": 120., "radius_pd": 0.02, "radius_pd_n":45}, 0.2, 
     99     # F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars) at q=0.2 
     100     792.0646662454202, 1166737.0473152, 120.0, 7246723.820358589, 1.0], 
     101    #  But note P(Q) = F2/volume+background,  F1 and F2 are vectors 
     102    #  BUT what is scaling of F1 ???  At low Pd F2 ~ F1^2 ? 
     103   [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, 0.2, 
     104     # F1, F2, R_eff, volume, volume_ratio = call_Fq(kernel, pars) at q=0.2 
     105     1.233304061, 1850806.119736, 120.0, 8087664.1226, 1.0], 
    104106    [{"@S": "hardsphere"}, 
    105        0.01, 55.881884232102124], # this is current value, not verified elsewhere yet 
     107       0.01, 55.881884232102124], # current value, not verified elsewhere yet 
    106108    [{"@S": "hardsphere"}, 
    107        0.2, 0.14730859242492958], #  this is current value, not verified elsewhere yet 
     109       0.2, 0.14730859242492958], # current value, not verified elsewhere yet 
    108110    [{"@S": "hardsphere"}, 
    109        0.1, 0.7940350343811906], #  this is current value, not verified elsewhere yet 
    110         [{"@S": "hardsphere",          # hard sphere structure factor 
    111      "structure_factor_mode": 1,  # decoupling approximation 
    112      "effective_radius_type": 1, "radius_effective":27.0 # equivalent sphere   Currently have hardwired model_test to accept radius_effective  
    113      # direct_model has the name & value BUT does it get passed to S(Q)???  What about volfracion, plus the many parameters used by other S(Q) ? 
     111       0.1, 0.7940350343811906], # current value, not verified elsewhere yet 
     112    [{"@S": "hardsphere",        # hard sphere structure factor 
     113     "structure_factor_mode": 1, # decoupling approximation 
     114     "effective_radius_type": 1, 
     115     # Currently have hardwired model_test to accept radius_effective 
     116     "radius_effective": 27.0, # equivalent sphere 
     117     # direct_model has the name & value BUT does it get passed to S(Q)??? 
     118     # What about volfracion, plus the many parameters used by other S(Q) ? 
    114119     # effective_radius_type does NOT appear in the list, has it been stripped out??? 
    115         }, 0.1, 0.7940350343881906], 
    116 #       [{"@S": "hardsphere",          # hard sphere structure factor 
     120    }, 0.1, 0.7940350343881906], 
     121#    [{"@S": "hardsphere",          # hard sphere structure factor 
    117122#     "structure_factor_mode": 3,  #  -  WHY same result? 
    118 #     "effective_radius_type": 3, "radius_effective":23.0    #  
    119 #        }, 0.1, 0.7940350343881906] 
     123#     "effective_radius_type": 3, "radius_effective": 23.0    # 
     124#    }, 0.1, 0.7940350343881906] 
    120125] 
    121 # putting None for expected result will pass the test if there are no errors from the routine, but without any check on the value of the result 
     126# putting None for expected result will pass the test if there are no errors 
     127# from the routine, but without any check on the value of the result 
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