Changeset b297ba9 in sasmodels for sasmodels/models/be_polyelectrolyte.py


Ignore:
Timestamp:
Mar 20, 2019 5:03:50 PM (5 years ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
Children:
4e28511
Parents:
0d362b7
Message:

lint

File:
1 edited

Legend:

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  • sasmodels/models/be_polyelectrolyte.py

    rca77fc1 rb297ba9  
    3636  constituting the polymer monomer and the solvent molecules, respectively. 
    3737 
    38 - $v_p$ and $v_s$ are the partial molar volume of the polymer and the  
     38- $v_p$ and $v_s$ are the partial molar volume of the polymer and the 
    3939  solvent, respectively. 
    4040 
     
    5050- $C_s$ is the concentration of monovalent salt(1/|Ang^3| - internally converted from mol/L). 
    5151 
    52 - $\alpha$ is the degree of ionization (the ratio of charged monomers to the total  
     52- $\alpha$ is the degree of ionization (the ratio of charged monomers to the total 
    5353  number of monomers) 
    5454 
     
    7474dimensionally useful units of 1/|Ang^3|, only the converted version of the 
    7575polymer concentration was actually being used in the calculation while the 
    76 unconverted salt concentration (still in apparent units of mol/L) was being  
    77 used.  This was carried through to Sasmodels as used for SasView 4.1 (though  
    78 the line of code converting the salt concentration to the new units was removed  
    79 somewhere along the line). Simple dimensional analysis of the calculation shows  
    80 that the converted salt concentration should be used, which the original code  
    81 suggests was the intention, so this has now been corrected (for SasView 4.2).  
     76unconverted salt concentration (still in apparent units of mol/L) was being 
     77used.  This was carried through to Sasmodels as used for SasView 4.1 (though 
     78the line of code converting the salt concentration to the new units was removed 
     79somewhere along the line). Simple dimensional analysis of the calculation shows 
     80that the converted salt concentration should be used, which the original code 
     81suggests was the intention, so this has now been corrected (for SasView 4.2). 
    8282Once better validation has been performed this note will be removed. 
    8383 
     
    141141    :params: see parameter table 
    142142    :return: 1-D form factor for polyelectrolytes in low salt 
    143      
     143 
    144144    parameter names, units, default values, and behavior (volume, sld etc) are 
    145145    defined in the parameter table.  The concentrations are converted from 
     
    167167 
    168168def random(): 
     169    """Return a random parameter set for the model.""" 
    169170    # TODO: review random be_polyelectrolyte model generation 
    170171    pars = dict( 
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