[503a972] | 1 | /* |
---|
| 2 | TODO: Add 2D model |
---|
| 3 | */ |
---|
| 4 | |
---|
| 5 | #if !defined(lamellarPS_HG_h) |
---|
| 6 | #define lamellarPS_HG_h |
---|
| 7 | #include "parameters.hh" |
---|
| 8 | |
---|
| 9 | /** Structure definition for concentrated lamellar form factor parameters |
---|
| 10 | * [PYTHONCLASS] = LamellarPSHGModel |
---|
| 11 | * [DISP_PARAMS] = deltaT,deltaH,spacing |
---|
| 12 | [DESCRIPTION] = <text>[Concentrated Lamellar (head+tail) Form Factor]: Calculates the |
---|
| 13 | intensity from a lyotropic lamellar phase. |
---|
| 14 | The intensity (form factor and structure factor) |
---|
| 15 | calculated is for lamellae of two-layer scattering |
---|
| 16 | length density that are randomly distributed in |
---|
| 17 | solution (a powder average). The scattering |
---|
| 18 | length density of the tail region, headgroup |
---|
| 19 | region, and solvent are taken to be different. |
---|
| 20 | The model can also be applied to large, |
---|
| 21 | multi-lamellar vesicles. |
---|
| 22 | No resolution smeared version is included |
---|
| 23 | in the structure factor of this model. |
---|
| 24 | *Parameters: spacing = repeat spacing, |
---|
| 25 | deltaT = tail length, |
---|
| 26 | deltaH = headgroup thickness, |
---|
| 27 | n_plates = # of Lamellar plates |
---|
| 28 | caille = Caille parameter (<0.8 or <1) |
---|
| 29 | background = incoherent bgd |
---|
| 30 | scale = scale factor ... |
---|
| 31 | </text> |
---|
| 32 | [FIXED]= deltaT.width;deltaH.width;spacing.width |
---|
| 33 | [ORIENTATION_PARAMS]= |
---|
| 34 | **/ |
---|
| 35 | |
---|
| 36 | class LamellarPSHGModel{ |
---|
| 37 | public: |
---|
| 38 | // Model parameters |
---|
| 39 | /// Scale factor |
---|
| 40 | // [DEFAULT]=scale=1.0 |
---|
| 41 | Parameter scale; |
---|
| 42 | /// repeat spacing of the lamellar [A] |
---|
| 43 | // [DEFAULT]=spacing=40 [A] |
---|
| 44 | Parameter spacing; |
---|
| 45 | /// tail thickness [A] |
---|
| 46 | // [DEFAULT]=deltaT=10 [A] |
---|
| 47 | Parameter deltaT; |
---|
| 48 | /// head thickness [A] |
---|
| 49 | // [DEFAULT]=deltaH=2.0 [A] |
---|
| 50 | Parameter deltaH; |
---|
| 51 | /// scattering density length of tails [1/A^(2)] |
---|
| 52 | // [DEFAULT]=sld_tail=0.4e-6 [1/A^(2)] |
---|
| 53 | Parameter sld_tail; |
---|
| 54 | /// scattering density length of head [1/A^(2)] |
---|
| 55 | // [DEFAULT]=sld_head=2e-6 [1/A^(2)] |
---|
| 56 | Parameter sld_head; |
---|
| 57 | /// scattering density length of solvent [1/A^(2)] |
---|
| 58 | // [DEFAULT]=sld_solvent=6e-6 [1/A^(2)] |
---|
| 59 | Parameter sld_solvent; |
---|
| 60 | /// Number of lamellar plates |
---|
| 61 | // [DEFAULT]=n_plates=30 |
---|
| 62 | Parameter n_plates; |
---|
| 63 | /// caille parameters |
---|
| 64 | // [DEFAULT]=caille=0.001 |
---|
| 65 | Parameter caille; |
---|
| 66 | /// Incoherent Background [1/cm] |
---|
| 67 | // [DEFAULT]=background=0.001 [1/cm] |
---|
| 68 | Parameter background; |
---|
| 69 | |
---|
| 70 | // Constructor |
---|
| 71 | LamellarPSHGModel(); |
---|
| 72 | |
---|
| 73 | // Operators to get I(Q) |
---|
| 74 | double operator()(double q); |
---|
| 75 | double operator()(double qx, double qy); |
---|
| 76 | double calculate_ER(); |
---|
[6319646] | 77 | double calculate_VR(); |
---|
[503a972] | 78 | double evaluate_rphi(double q, double phi); |
---|
| 79 | }; |
---|
| 80 | |
---|
| 81 | #endif |
---|