Changes in / [42f71da:d999185] in sasmodels
- Location:
- sasmodels/models
- Files:
-
- 3 added
- 1 deleted
- 6 edited
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- Unmodified
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sasmodels/models/core_shell_ellipsoid.py
r29172aa r65bf704 117 117 source = ["lib/sph_j1c.c", "lib/gfn.c", "lib/gauss76.c", "core_shell_ellipsoid.c"] 118 118 119 def ER(equat_shell, polar_shell): 120 """ 121 Returns the effective radius used in the S*P calculation 122 """ 123 import numpy as np 124 from .ellipsoid import ER as ellipsoid_ER 125 return ellipsoid_ER(rpolar, equat_shell) 126 127 119 128 demo = dict(scale=1, background=0.001, 120 129 equat_core=200.0, -
sasmodels/models/core_shell_ellipsoid_xt.py
r3556ad7 r65bf704 103 103 "core_shell_ellipsoid_xt.c"] 104 104 105 def ER(equat_core, x_core, t_shell, x_polar_shell): 106 """ 107 Returns the effective radius used in the S*P calculation 108 """ 109 import numpy as np 110 from .ellipsoid import ER as ellipsoid_ER 111 return ellipsoid_ER(equat_core*x_core + t_shell*x_polar_shell, equat_shell + t_shell) 112 113 105 114 demo = dict(scale=0.05, background=0.001, 106 115 equat_core=20.0, -
sasmodels/models/flexible_cylinder_elliptical.py
rb66d38e r65bf704 85 85 from numpy import inf 86 86 87 name = "flexible_cylinder_e x"87 name = "flexible_cylinder_elliptical" 88 88 title = "Flexible cylinder wth an elliptical cross section and a uniform " \ 89 89 "scattering length density." -
sasmodels/models/micelle_spherical_core.py
r0d0aee1 rdb74c47 2 2 3 3 This model provides the form factor, $P(q)$, for a micelle with a spherical 4 core and Gaussian polymer chains attached to the surface. 4 core and Gaussian polymer chains attached to the surface, thus may be applied 5 to block copolymer micelles. To work well the Gaussian chains must be much smaller 6 than the core, which is often not the case. Please study the reference carefully. 5 7 6 8 Definition … … 16 18 17 19 18 Reference 19 --------- 20 References 21 ---------- 20 22 21 23 J Pedersen, *J. Appl. Cryst.*, 33 (2000) 637-640 … … 37 39 parameters = [ 38 40 ["ndensity", "1e15/cm^3", 8.94, [0.0, inf], "", "Number density of micelles"], 39 ["v_core", "Ang^3", 62624.0, [0.0, inf], "", "Core volume "],41 ["v_core", "Ang^3", 62624.0, [0.0, inf], "", "Core volume "], 40 42 ["v_corona", "Ang^3", 61940.0, [0.0, inf], "", "Corona volume"], 41 ["s olvent_sld", "1e-6/Ang^2", 6.4, [0.0, inf], "", "Solvent scattering length density"],42 [" core_sld", "1e-6/Ang^2", 0.34, [0.0, inf], "", "Core scattering length density"],43 [" corona_sld", "1e-6/Ang^2", 0.8, [0.0, inf], "", "Corona scattering length density"],44 ["radius_core", "Ang", 45.0, [0.0, inf], "", "Radius of core "],43 ["sld_solvent", "1e-6/Ang^2", 6.4, [0.0, inf], "", "Solvent scattering length density"], 44 ["sld_core", "1e-6/Ang^2", 0.34, [0.0, inf], "", "Core scattering length density"], 45 ["sld_corona", "1e-6/Ang^2", 0.8, [0.0, inf], "", "Corona scattering length density"], 46 ["radius_core", "Ang", 45.0, [0.0, inf], "", "Radius of core ( must be >> radius_gyr )"], 45 47 ["radius_gyr", "Ang", 20.0, [0.0, inf], "", "Radius of gyration of chains in corona"], 46 48 ["d_penetration", "", 1.0, [-inf, inf], "", "Factor to mimic non-penetration of Gaussian chains"], … … 55 57 v_core=62624.0, 56 58 v_corona=61940.0, 57 s olvent_sld=6.4,58 core_sld=0.34,59 corona_sld=0.8,59 sld_solvent=6.4, 60 sld_core=0.34, 61 sld_corona=0.8, 60 62 radius_core=45.0, 61 63 radius_gyr=20.0, … … 65 67 66 68 oldname = 'MicelleSphCoreModel' 67 oldpars = dict(s olvent_sld='rho_solv',68 core_sld='rho_core',69 corona_sld='rho_corona')69 oldpars = dict(sld_solvent='rho_solv', 70 sld_core='rho_core', 71 sld_corona='rho_corona') 70 72 71 73 tests = [ 72 74 [{}, 0.01, 15.3532], 73 75 ] 76 # RKH 20Mar2016 - need to check whether the core & corona volumes are per monomer ??? and how aggregation number works! -
sasmodels/models/pringle.py
r1805a9e raf4da90 43 43 --------- 44 44 45 S Alexandru Rautu, Private Communication. 45 Stefan Alexandru Rautu, Private Communication. 2012. 46 As of 2016: stefanar@ncbs.res.in 46 47 47 48 """ -
sasmodels/models/raspberry.c
ra2d8a67 r616df8f 27 27 28 28 29 double vfL, rL, sldL, vfS, rS, sldS, deltaS, delrhoL, delrhoS, sldSolv , aSs;29 double vfL, rL, sldL, vfS, rS, sldS, deltaS, delrhoL, delrhoS, sldSolv; 30 30 double VL, VS, Np, f2, fSs; 31 31 double psiL,psiS; 32 double sfLS,sfSS ,Np2,fSs2;32 double sfLS,sfSS; 33 33 double slT; 34 34
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