Changeset 54954e1 in sasmodels for sasmodels/models/hayter_msa.py
- Timestamp:
- Mar 17, 2016 9:58:53 AM (8 years ago)
- Branches:
- master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- 03e8a6e, 3a45c2c
- Parents:
- 15bd6e7
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
sasmodels/models/hayter_msa.py
rd529d93 r54954e1 51 51 # dp[2] = volfraction(); 52 52 # dp[3] = temperature(); 53 # dp[4] = salt conc();53 # dp[4] = salt_concentration(); 54 54 # dp[5] = dielectconst(); 55 55 … … 76 76 ["volfraction", "None", 0.0192, [0, 0.74], "", "volume fraction of spheres"], 77 77 ["temperature", "K", 318.16, [0, inf], "", "temperature, in Kelvin, for Debye length calculation"], 78 ["salt conc", "M", 0.0, [-inf, inf], "", "conc of salt, moles/litre, 1:1 electolyte, for Debye length"],78 ["salt_concentration", "M", 0.0, [-inf, inf], "", "conc of salt, moles/litre, 1:1 electolyte, for Debye length"], 79 79 ["dielectconst", "None", 71.08, [-inf, inf], "", "dielectric constant (relative permittivity) of solvent, default water, for Debye length"] 80 80 ] … … 96 96 oldname = 'HayterMSAStructure' 97 97 #oldpars = dict(effect_radius="radius_effective",effect_radius_pd="radius_effective_pd",effect_radius_pd_n="radius_effective_pd_n") 98 oldpars = dict(radius_effective="effect_radius",radius_effective_pd="effect_radius_pd",radius_effective_pd_n="effect_radius_pd_n" )98 oldpars = dict(radius_effective="effect_radius",radius_effective_pd="effect_radius_pd",radius_effective_pd_n="effect_radius_pd_n",salt_concentration="saltconc") 99 99 #oldpars = dict( ) 100 100 # default parameter set, use compare.sh -midQ -linear 101 101 # note the calculation varies in different limiting cases so a wide range of 102 102 # parameters will be required for a thorough test! 103 # odd that the default st has salt conczero103 # odd that the default st has salt_concentration zero 104 104 demo = dict(radius_effective=20.75, 105 105 charge=19.0, 106 106 volfraction=0.0192, 107 107 temperature=318.16, 108 salt conc=0.05,108 salt_concentration=0.05, 109 109 dielectconst=71.08, 110 110 radius_effective_pd=0.1, … … 120 120 'volfraction': 0.0192, 121 121 'temperature': 298.0, 122 'salt conc': 0,122 'salt_concentration': 0, 123 123 'dielectconst': 78.0, 124 124 'radius_effective_pd': 0}, … … 130 130 'volfraction': 0.0192, 131 131 'temperature': 298.0, 132 'salt conc': 0.05,132 'salt_concentration': 0.05, 133 133 'dielectconst': 78.0, 134 134 'radius_effective_pd': 0.1,
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