Changeset b297ba9 in sasmodels for sasmodels/models/be_polyelectrolyte.py
- Timestamp:
- Mar 20, 2019 5:03:50 PM (5 years ago)
- 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
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
sasmodels/models/be_polyelectrolyte.py
rca77fc1 rb297ba9 36 36 constituting the polymer monomer and the solvent molecules, respectively. 37 37 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 39 39 solvent, respectively. 40 40 … … 50 50 - $C_s$ is the concentration of monovalent salt(1/|Ang^3| - internally converted from mol/L). 51 51 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 53 53 number of monomers) 54 54 … … 74 74 dimensionally useful units of 1/|Ang^3|, only the converted version of the 75 75 polymer 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). 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). 82 82 Once better validation has been performed this note will be removed. 83 83 … … 141 141 :params: see parameter table 142 142 :return: 1-D form factor for polyelectrolytes in low salt 143 143 144 144 parameter names, units, default values, and behavior (volume, sld etc) are 145 145 defined in the parameter table. The concentrations are converted from … … 167 167 168 168 def random(): 169 """Return a random parameter set for the model.""" 169 170 # TODO: review random be_polyelectrolyte model generation 170 171 pars = dict(
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