Changeset a430f5f in sasmodels


Ignore:
Timestamp:
Mar 28, 2019 8:13:16 AM (4 months ago)
Author:
richardh
Branches:
master, ticket-1257-vesicle-product, ticket_1156, ticket_822_more_unit_tests
Children:
adb84f6, 6652522
Parents:
facb052
Message:

more progress with model_test, see sphere.py

Location:
sasmodels
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • sasmodels/model_test.py

    rfacb052 ra430f5f  
    242242                    # build the P@S model 
    243243                    s_info = load_model_info(s_name) 
    244                     print("in run_all: s_info:", s_info) 
     244                    #print("in run_all: s_info:", s_info) 
    245245                    ps_info = product.make_product_info(self.info, s_info) 
    246246                    ps_model = build_model(ps_info, dtype=self.dtype, 
     
    414414    """ 
    415415    import math 
    416     shift = 10**math.ceil(math.log10(abs(target))) 
    417     return abs(target-actual)/shift < 1.5*10**-digits 
     416    shift = 10**math.ceil(math.log10(np.abs(target))) 
     417    return np.abs(target-actual)/shift < 1.5*10**-digits 
    418418 
    419419# CRUFT: old interface; should be deprecated and removed 
  • sasmodels/models/sphere.py

    rfacb052 ra430f5f  
    9595    [{"scale": 1., "background": 0., "sld": 6., "sld_solvent": 1., 
    9696      "radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, 
    97      0.2, 0.228843], 
    98     [{"radius": 120., "radius_pd": 0.2, "radius_pd_n":45}, 
    99      0.1, None, None, 120., None, 1.0], 
     97     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) 
    100104    [{"@S": "hardsphere"}, 
    101        0.1, 0.7940350343881906], # Q=0.1 this is current value, not verified elsewhere yet 
     105       0.01, 55.881884232102124], # this is current value, not verified elsewhere yet 
     106    [{"@S": "hardsphere"}, 
     107       0.2, 0.14730859242492958], #  this is current value, not verified elsewhere yet 
     108    [{"@S": "hardsphere"}, 
     109       0.1, 0.7940350343811906], #  this is current value, not verified elsewhere yet 
    102110        [{"@S": "hardsphere",          # hard sphere structure factor 
    103111     "structure_factor_mode": 1,  # decoupling approximation 
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