Changes in sasmodels/models/hardsphere.py [aa2edb2:84db7a5] in sasmodels
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sasmodels/models/hardsphere.py
raa2edb2 r84db7a5 7 7 the maths needs to be modified (no \Beta(Q) correction yet in sasview). 8 8 9 radius_effectiveis the effective hard sphere radius.9 effect_radius is the effective hard sphere radius. 10 10 volfraction is the volume fraction occupied by the spheres. 11 11 … … 53 53 systems. Though strictly the maths needs to be modified - 54 54 which sasview does not do yet. 55 radius_effectiveis the hard sphere radius55 effect_radius is the hard sphere radius 56 56 volfraction is the volume fraction occupied by the spheres. 57 57 """ … … 60 60 61 61 # ["name", "units", default, [lower, upper], "type","description"], 62 parameters = [[" radius_effective", "Ang", 50.0, [0, inf], "volume",62 parameters = [["effect_radius", "Ang", 50.0, [0, inf], "volume", 63 63 "effective radius of hard sphere"], 64 64 ["volfraction", "", 0.2, [0, 0.74], "", … … 75 75 double D,A,B,G,X,X2,X4,S,C,FF,HARDSPH; 76 76 77 if(fabs( radius_effective) < 1.E-12) {77 if(fabs(effect_radius) < 1.E-12) { 78 78 HARDSPH=1.0; 79 79 return(HARDSPH); … … 84 84 A= (1.+2.*volfraction)*D; 85 85 A *=A; 86 X=fabs(q* radius_effective*2.0);86 X=fabs(q*effect_radius*2.0); 87 87 88 88 if(X < 5.E-06) { … … 147 147 # VR defaults to 1.0 148 148 149 demo = dict( radius_effective=200, volfraction=0.2, radius_effective_pd=0.1, radius_effective_pd_n=40)149 demo = dict(effect_radius=200, volfraction=0.2, effect_radius_pd=0.1, effect_radius_pd_n=40) 150 150 oldname = 'HardsphereStructure' 151 oldpars = dict( radius_effective="effect_radius",radius_effective_pd="effect_radius_pd",radius_effective_pd_n="effect_radius_pd_n")151 oldpars = dict(effect_radius="effect_radius",effect_radius_pd="effect_radius_pd",effect_radius_pd_n="effect_radius_pd_n") 152 152 # Q=0.001 is in the Taylor series, low Q part, so add Q=0.1, assuming double precision sasview is correct 153 153 tests = [ 154 [ {'scale': 1.0, 'background' : 0.0, ' radius_effective' : 50.0, 'volfraction' : 0.2,155 ' radius_effective_pd' : 0}, [0.001,0.1], [0.209128,0.930587]]154 [ {'scale': 1.0, 'background' : 0.0, 'effect_radius' : 50.0, 'volfraction' : 0.2, 155 'effect_radius_pd' : 0}, [0.001,0.1], [0.209128,0.930587]] 156 156 ] 157 157 # ADDED by: RKH ON: 16Mar2016 using equations from FISH as better than orig sasview, see notes above. Added Taylor expansions at small Q,
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