Changeset 1ed3834 in sasview for sansmodels/src/sans/models/c_extensions
- Timestamp:
- Apr 16, 2009 4:37:39 PM (15 years ago)
- Branches:
- master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload
- Children:
- fca9cbd9
- Parents:
- 3fef0a8
- Location:
- sansmodels/src/sans/models/c_extensions
- Files:
-
- 10 edited
Legend:
- Unmodified
- Added
- Removed
-
sansmodels/src/sans/models/c_extensions/Hardsphere.h
r70faf5d r1ed3834 7 7 //[PYTHONCLASS] = HardsphereStructure 8 8 //[DISP_PARAMS] = radius 9 //[DESCRIPTION] =<text>Structure factor for interacting particles: 9 //[DESCRIPTION] =<text>Structure factor for interacting particles: . 10 10 // 11 11 // The interparticle potential is … … 17 17 // V:The volume fraction 18 18 // 19 // Ref: Percus., J. K.,etc., J. Phy. Rev.20 // 1958, 110, 1.19 // Ref: Percus., J. K.,etc., J. Phy. 20 // Rev. 1958, 110, 1. 21 21 // </text> 22 22 //[FIXED]= radius.width … … 24 24 25 25 typedef struct { 26 /// Radius of hardsphere [ Å]27 // [DEFAULT]=radius=50.0 [ Å]26 /// Radius of hardsphere [A] 27 // [DEFAULT]=radius=50.0 [A] 28 28 double radius; 29 29 -
sansmodels/src/sans/models/c_extensions/HayterMSA.h
r70faf5d r1ed3834 7 7 //[PYTHONCLASS] = HayterMSAStructure 8 8 //[DISP_PARAMS] = radius 9 //[DESCRIPTION] =<text>To calculate the structure factor (the Fourier transform 10 // of the pair correlation function g(r)) for 11 // a system of charged, spheroidal objects in 12 // a dielectric medium. When combined with an 13 // appropriate form factor, this allows 14 // for inclusion of the interparticle 15 // interference effects due to screened coulomb 16 // repulsion between charged particles. 17 // (note: charge > 0 required.) 9 //[DESCRIPTION] =<text>To calculate the structure factor (the Fourier transform of the 10 // pair correlation function g(r)) for a system of 11 // charged, spheroidal objects in a dielectric 12 // medium. 13 // When combined with an appropriate form 14 // factor, this allows for inclusion of 15 // the interparticle interference effects 16 // due to screened coulomb repulsion between 17 // charged particles. 18 // (Note: charge > 0 required.) 18 19 // 19 20 // Ref: JP Hansen and JB Hayter, Molecular … … 24 25 25 26 typedef struct { 26 /// Radius of particle [ Å]27 // [DEFAULT]=radius=20.75 [ Å]27 /// Radius of particle [A] 28 // [DEFAULT]=radius=20.75 [A] 28 29 double radius; 29 30 -
sansmodels/src/sans/models/c_extensions/SquareWell.h
r70faf5d r1ed3834 6 6 // [PYTHONCLASS] = SquareWellStructure 7 7 // [DISP_PARAMS] = radius 8 // [DESCRIPTION] = <text> Structure Factor for interacting particles: 8 // [DESCRIPTION] = <text> Structure Factor for interacting particles: . 9 9 // 10 10 // The interaction potential is … … 14 14 // = 0 , r >= 2Rw 15 15 // 16 // R: radius (A)of the particle, v: volume fraction 16 // R: radius (A)of the particle 17 // v: volume fraction 17 18 // d: well depth 18 // w: well width; multiples of the particle diameter 19 // w: well width; multiples of the 20 // particle diameter 19 21 // 20 // Ref: Sharma, R. V.; Sharma, K. C., Physica,21 // 22 // Ref: Sharma, R. V.; Sharma, 23 // K. C., Physica, 1977, 89A, 213. 22 24 // </text> 23 25 // [FIXED]= radius.width … … 26 28 27 29 typedef struct { 28 /// Radius of particle [ Å]29 // [DEFAULT]=radius=50.0 [ Å]30 /// Radius of particle [A] 31 // [DEFAULT]=radius=50.0 [A] 30 32 double radius; 31 33 -
sansmodels/src/sans/models/c_extensions/StickyHS.h
r70faf5d r1ed3834 7 7 //[PYTHONCLASS] = StickyHSStructure 8 8 //[DISP_PARAMS] = radius 9 //[DESCRIPTION] =<text> Structure Factor for interacting particles: 9 //[DESCRIPTION] =<text> Structure Factor for interacting particles: . 10 10 // 11 11 // The interaction potential is … … 21 21 // v: The volume fraction , v > 0 22 22 // 23 // Ref: Menon, S. V. G.,et.al., J. Chem. Phys.,24 // 23 // Ref: Menon, S. V. G.,et.al., J. Chem. 24 // Phys., 1991, 95(12), 9186-9190. 25 25 // </text> 26 26 //[FIXED]= radius.width 27 27 typedef struct { 28 /// Radius of hardsphere [ Å]29 // [DEFAULT]=radius=50.0 [ Å]28 /// Radius of hardsphere [A] 29 // [DEFAULT]=radius=50.0 [A] 30 30 double radius; 31 31 -
sansmodels/src/sans/models/c_extensions/core_shell.h
r70faf5d r1ed3834 7 7 //[PYTHONCLASS] = CoreShellModel 8 8 //[DISP_PARAMS] = radius, thickness 9 //[DESCRIPTION] =<text> Form factor for a monodisperse spherical particle with 10 // particle with a core-shell structure: 9 //[DESCRIPTION] =<text>Form factor for a monodisperse spherical particle with particle 10 // with a core-shell structure: 11 // 11 12 // The form factor is normalized by the 12 13 // total particle volume. 13 14 // 14 // radius: core radius 15 // thickness: shell thickness 15 // radius: core radius, thickness: shell thickness 16 16 // 17 17 // Ref: Guinier, A. and G. Fournet, … … 25 25 // [DEFAULT]=scale=1.0 26 26 double scale; 27 /// Core Radius [ Å] 60.028 // [DEFAULT]=radius=60.0 [ Å]27 /// Core Radius [A] 60.0 28 // [DEFAULT]=radius=60.0 [A] 29 29 double radius; 30 /// Shell Thickness [ Å] 10.031 // [DEFAULT]=thickness=10 [ Å]30 /// Shell Thickness [A] 10.0 31 // [DEFAULT]=thickness=10 [A] 32 32 double thickness; 33 /// Core SLD [1/ Ų] 1.0e-634 // [DEFAULT]=core_sld=1.0e-6 [1/ Ų]33 /// Core SLD [1/A²] 1.0e-6 34 // [DEFAULT]=core_sld=1.0e-6 [1/A²] 35 35 double core_sld; 36 /// Shell SLD [1/ Ų] 2.0e-637 // [DEFAULT]=shell_sld=2.0e-6 [1/ Ų]36 /// Shell SLD [1/A²] 2.0e-6 37 // [DEFAULT]=shell_sld=2.0e-6 [1/A²] 38 38 double shell_sld; 39 /// Solvent SLD [1/ Ų] 3.0e-640 // [DEFAULT]=solvent_sld=3.0e-6 [1/ Ų]39 /// Solvent SLD [1/A²] 3.0e-6 40 // [DEFAULT]=solvent_sld=3.0e-6 [1/A²] 41 41 double solvent_sld; 42 42 /// Incoherent Background [1/cm] 0.000 -
sansmodels/src/sans/models/c_extensions/core_shell_cylinder.h
r70faf5d r1ed3834 7 7 //[PYTHONCLASS] = CoreShellCylinderModel 8 8 //[DISP_PARAMS] = radius, thickness, length, axis_theta, axis_phi 9 //[DESCRIPTION] = <text>P(q,alpha)= scale/Vs*f(q)^(2) + bkg Where:\n\ 10 // f(q)= 2(core_sld- solvant_sld)* Vc*sin[qLcos(alpha/2)]/\n\ 11 // [qLcos(alpha/2)]*J1(qRsin(alpha))/[qRsin(alpha)] +\n 12 // 2(shell_sld-solvent_sld)*Vs 13 // *sin[q(L+T)cos(alpha/2)]/[[q(L+T)cos(alpha/2)] 14 // *J1(q(R+T)sin(alpha))/q(R+T)sin(alpha)] 15 // alpha:is the angle between the axis of the cylinder 16 // and the q-vector 9 //[DESCRIPTION] = <text>P(q,alpha)= scale/Vs*f(q)^(2) + bkg, where: f(q)= 2(core_sld 10 // - solvant_sld)* Vc*sin[qLcos(alpha/2)] 11 // /[qLcos(alpha/2)]*J1(qRsin(alpha)) 12 // /[qRsin(alpha)]+2(shell_sld-solvent_sld) 13 // *Vs*sin[q(L+T)cos(alpha/2)][[q(L+T) 14 // *cos(alpha/2)]*J1(q(R+T)sin(alpha)) 15 // /q(R+T)sin(alpha)] 16 // 17 // alpha:is the angle between the axis of 18 // the cylinder and the q-vector 17 19 // Vs: the volume of the outer shell 18 20 // Vc: the volume of the core 19 21 // L: the length of the core 20 // shell_sld: the scattering length density of the shell 21 // solvent_sld: the scattering length density of the solvent 22 // shell_sld: the scattering length density 23 // of the shell 24 // solvent_sld: the scattering length density 25 // of the solvent 22 26 // bkg: the background 23 27 // T: the thickness … … 26 30 // J1: the first order Bessel function 27 31 // theta: axis_theta of the cylinder 28 // phi: the axis_phi of the cylinder 32 // phi: the axis_phi of the cylinder... 29 33 // </text> 30 34 //[FIXED]= <text> axis_phi.width; axis_theta.width; length.width;radius.width; thickness_width</text> … … 37 41 double scale; 38 42 39 /// Core radius [ Å]40 // [DEFAULT]=radius=20.0 [ Å]43 /// Core radius [A] 44 // [DEFAULT]=radius=20.0 [A] 41 45 double radius; 42 46 43 /// Shell thickness [ Å]44 // [DEFAULT]=thickness=10.0 [ Å]47 /// Shell thickness [A] 48 // [DEFAULT]=thickness=10.0 [A] 45 49 double thickness; 46 50 47 /// Core length [ Å]48 // [DEFAULT]=length=400.0 [ Å]51 /// Core length [A] 52 // [DEFAULT]=length=400.0 [A] 49 53 double length; 50 54 51 /// Core SLD [1/ Ų]52 // [DEFAULT]=core_sld=1.0e-6 [1/ Ų]55 /// Core SLD [1/A²] 56 // [DEFAULT]=core_sld=1.0e-6 [1/A²] 53 57 double core_sld; 54 58 55 /// Shell SLD [1/ Ų]56 // [DEFAULT]=shell_sld=4.0e-6 [1/ Ų]59 /// Shell SLD [1/A²] 60 // [DEFAULT]=shell_sld=4.0e-6 [1/A²] 57 61 double shell_sld; 58 62 59 /// Solvent SLD [1/ Ų]60 // [DEFAULT]=solvent_sld=1.0e-6 [1/ Ų]63 /// Solvent SLD [1/A²] 64 // [DEFAULT]=solvent_sld=1.0e-6 [1/A²] 61 65 double solvent_sld; 62 66 -
sansmodels/src/sans/models/c_extensions/cylinder.h
r70faf5d r1ed3834 4 4 * [PYTHONCLASS] = CylinderModel 5 5 * [DISP_PARAMS] = radius, length, cyl_theta, cyl_phi 6 [DESCRIPTION] = <text>P(q,alpha)= scale/V*f(q)^(2)+bkg 7 f(q)= 2*(scatter_sld - solvent_sld)*V 8 *sin(qLcos(alpha/2))/[qLcos(alpha/2)] 9 *J1(qRsin(alpha/2))/[qRsin(alpha)] 10 V: Volume of the cylinder 11 R: Radius of the cylinder 12 L: Length of the cylinder 13 J1: The bessel function 14 alpha: angle betweenthe axis of the cylinder 15 and the q-vector for 1D:the ouput is 16 P(q)=scale/V*integral from pi/2 to zero of 17 f(q)^(2)*sin(alpha)*dalpha+ bkg 18 </text> 6 [DESCRIPTION] = <text> f(q)= 2*(scatter_sld - solvent_sld)*V*sin(qLcos(alpha/2)) 7 /[qLcos(alpha/2)]*J1(qRsin(alpha/2))/[qRsin(alpha)] 8 9 P(q,alpha)= scale/V*f(q)^(2)+bkg 10 V: Volume of the cylinder 11 R: Radius of the cylinder 12 L: Length of the cylinder 13 J1: The bessel function 14 alpha: angle betweenthe axis of the 15 cylinder and the q-vector for 1D 16 :the ouput is P(q)=scale/V*integral 17 from pi/2 to zero of... 18 f(q)^(2)*sin(alpha)*dalpha+ bkg 19 </text> 19 20 [FIXED]= <text>cyl_phi.width; cyl_theta.width; length.width;radius.width</text> 20 21 [ORIENTATION_PARAMS]= <text>cyl_phi; cyl_theta; cyl_phi.width; cyl_theta.width</text> … … 26 27 // [DEFAULT]=scale=1.0 27 28 double scale; 28 /// Radius of the cylinder [ Å]29 // [DEFAULT]=radius=20.0 [ Å]29 /// Radius of the cylinder [A] 30 // [DEFAULT]=radius=20.0 [A] 30 31 double radius; 31 /// Length of the cylinder [ Å]32 // [DEFAULT]=length=400.0 [ Å]32 /// Length of the cylinder [A] 33 // [DEFAULT]=length=400.0 [A] 33 34 double length; 34 /// Contrast [1/ Ų]35 // [DEFAULT]=contrast=3.0e-6 [1/ Ų]35 /// Contrast [1/A²] 36 // [DEFAULT]=contrast=3.0e-6 [1/A²] 36 37 double contrast; 37 38 /// Incoherent Background [1/cm] 0.00 -
sansmodels/src/sans/models/c_extensions/ellipsoid.h
r70faf5d r1ed3834 9 9 //[PYTHONCLASS] = EllipsoidModel 10 10 //[DISP_PARAMS] = radius_a, radius_b, axis_theta, axis_phi 11 //[DESCRIPTION] = <text>"P(q.alpha)= scale*f(q)^(2)+ bkg 12 // f(q)= 3*(scatter_sld- scatter_solvent)*V13 // *[sin(q*r(Ra,Rb,alpha))-q*r*cos(qr(Ra,Rb,alpha))]11 //[DESCRIPTION] = <text>"P(q.alpha)= scale*f(q)^(2)+ bkg, where f(q)= 3*(scatter_sld 12 // - scatter_solvent)*V*[sin(q*r(Ra,Rb,alpha)) 13 // -q*r*cos(qr(Ra,Rb,alpha))] 14 14 // /[qr(Ra,Rb,alpha)]^(3)" 15 // 15 16 // r(Ra,Rb,alpha)= [Rb^(2)*(sin(alpha))^(2) 16 17 // + Ra^(2)*(cos(alpha))^(2)]^(1/2) 17 // scatter_sld: scattering length density of the scatter 18 // solvent_sld: scattering length density of the solvent 18 // 19 // scatter_sld: SLD of the scatter 20 // solvent_sld: SLD of the solvent 21 // contrast: SLD difference between scatter 22 // and solvent 19 23 // V: volune of the Eliipsoid 20 // Ra: radius along the rotation axis of the Ellipsoid 21 // Rb: radius perpendicular to the rotation axis of the ellipsoid 24 // Ra: radius along the rotation axis 25 // of the Ellipsoid 26 // Rb: radius perpendicular to the 27 // rotation axis of the ellipsoid 22 28 // </text> 23 29 //[FIXED]= <text> axis_phi.width; axis_theta.width;radius_a.width; … … 32 38 double scale; 33 39 34 /// Rotation axis radius_a [ Å]35 // [DEFAULT]=radius_a=20.0 [ Å]40 /// Rotation axis radius_a [A] 41 // [DEFAULT]=radius_a=20.0 [A] 36 42 double radius_a; 37 43 38 /// Radius_b [ Å]39 // [DEFAULT]=radius_b=400 [ Å]44 /// Radius_b [A] 45 // [DEFAULT]=radius_b=400 [A] 40 46 double radius_b; 41 47 42 /// Contrast [1/ Ų]43 // [DEFAULT]=contrast=3.0e-6 [1/ Ų]48 /// Contrast [1/A²] 49 // [DEFAULT]=contrast=3.0e-6 [1/A²] 44 50 double contrast; 45 51 -
sansmodels/src/sans/models/c_extensions/elliptical_cylinder.h
r70faf5d r1ed3834 16 16 // [DEFAULT]=scale=1.0 17 17 double scale; 18 /// Minor radius [ Å]19 // [DEFAULT]=r_minor=20.0 [ Å]18 /// Minor radius [A] 19 // [DEFAULT]=r_minor=20.0 [A] 20 20 double r_minor; 21 21 /// Ratio of major/minor radii 22 22 // [DEFAULT]=r_ratio=1.5 23 23 double r_ratio; 24 /// Length of the cylinder [ Å]25 // [DEFAULT]=length=400.0 [ Å]24 /// Length of the cylinder [A] 25 // [DEFAULT]=length=400.0 [A] 26 26 double length; 27 /// Contrast [1/ Ų]28 // [DEFAULT]=contrast=3.0e-6 [1/ Ų]27 /// Contrast [1/A²] 28 // [DEFAULT]=contrast=3.0e-6 [1/A²] 29 29 double contrast; 30 30 /// Incoherent Background [1/cm] 0.000 -
sansmodels/src/sans/models/c_extensions/sphere.h
r70faf5d r1ed3834 7 7 //[PYTHONCLASS] = SphereModel 8 8 //[DISP_PARAMS] = radius 9 //[DESCRIPTION] =<text>P(q)=(scale/V) 10 // *[3V(scatter_sld-solvent_sld)*(sin(qR)-qRcos(qR))/(qR)^3]^(2) 11 // +bkg 12 // bkg: background level 13 // R: radius of the sphere 14 // V:The volume of the scatter 15 // scatter_sld: the scattering length density of the scatter 16 // solvent_sld: the scattering length density of the solvent 17 // </text> 9 //[DESCRIPTION] =<text>P(q)=(scale/V)*[3V(scatter_sld-solvent_sld)*(sin(qR)-qRcos(qR)) 10 // /(qR)^3]^(2)+bkg 11 // 12 // bkg:background, R: radius of sphere 13 // V:The volume of the scatter 14 // contrast:SLD difference between 15 // scatter and solvent 16 // scatter_sld: the SLD of the scatter 17 // solvent_sld: the SLD of the solvent 18 // 19 // </text> 18 20 //[FIXED]= radius.width 19 21 //[ORIENTATION_PARAMS]= <text> </text> … … 24 26 double scale; 25 27 26 /// Radius of sphere [ Å]27 // [DEFAULT]=radius=60.0 [ Å]28 /// Radius of sphere [A] 29 // [DEFAULT]=radius=60.0 [A] 28 30 double radius; 29 31 30 32 /// Contrast [1/Ų] 31 // [DEFAULT]=contrast= 1.0e-6 [1/ Ų]33 // [DEFAULT]=contrast= 1.0e-6 [1/A²] 32 34 double contrast; 33 35
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