Changeset ca04add in sasmodels for sasmodels/models/spherical_sld.py
- Timestamp:
- Sep 13, 2017 7:29:11 AM (7 years ago)
- Branches:
- master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- dd4f5ed
- Parents:
- 2ba5ba5
- File:
-
- 1 edited
Legend:
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sasmodels/models/spherical_sld.py
r2ad5d30 rca04add 51 51 3 \rho_\text{core} V(r_\text{core}) 52 52 \Big[ \frac{\sin(qr_\text{core}) - qr_\text{core} \cos(qr_\text{core})} 53 {qr_\text{core}^3} \Big] 54 53 {qr_\text{core}^3} \Big] \\ 55 54 f_{\text{inter}_i} &= 4 \pi \int_{\Delta t_{ \text{inter}_i } } 56 \rho_{ \text{inter}_i } \frac{\sin(qr)} {qr} r^2 dr 57 55 \rho_{ \text{inter}_i } \frac{\sin(qr)} {qr} r^2 dr \\ 58 56 f_{\text{shell}_i} &= 4 \pi \int_{\Delta t_{ \text{inter}_i } } 59 57 \rho_{ \text{flat}_i } \frac{\sin(qr)} {qr} r^2 dr = … … 66 64 -3 \rho_{ \text{flat}_i } V(r_{ \text{inter}_i }) 67 65 \Big[ \frac{\sin(qr_{\text{inter}_i}) - qr_{\text{flat}_i} 68 \cos(qr_{\text{inter}_i}) } {qr_{\text{inter}_i}^3} \Big] 69 66 \cos(qr_{\text{inter}_i}) } {qr_{\text{inter}_i}^3} \Big] \\ 70 67 f_\text{solvent} &= 4 \pi \int_{r_N}^{\infty} \rho_\text{solvent} 71 68 \frac{\sin(qr)} {qr} r^2 dr = … … 122 119 4 \pi \sum_{j=1}^{n_\text{steps}} 123 120 \int_{r_j}^{r_{j+1}} \rho_{ \text{inter}_i } (r_j) 124 \frac{\sin(qr)} {qr} r^2 dr 125 126 &\approx 4 \pi \sum_{j=1}^{n_\text{steps}} \Big[ 121 \frac{\sin(qr)} {qr} r^2 dr \\ 122 \approx 4 \pi \sum_{j=1}^{n_\text{steps}} \Big[ 127 123 3 ( \rho_{ \text{inter}_i } ( r_{j+1} ) - \rho_{ \text{inter}_i } 128 124 ( r_{j} ) V (r_j) 129 125 \Big[ \frac {r_j^2 \beta_\text{out}^2 \sin(\beta_\text{out}) 130 126 - (\beta_\text{out}^2-2) \cos(\beta_\text{out}) } 131 {\beta_\text{out}^4 } \Big] 132 133 &{} - 3 ( \rho_{ \text{inter}_i } ( r_{j+1} ) - \rho_{ \text{inter}_i } 127 {\beta_\text{out}^4 } \Big] \\ 128 {} - 3 ( \rho_{ \text{inter}_i } ( r_{j+1} ) - \rho_{ \text{inter}_i } 134 129 ( r_{j} ) V ( r_{j-1} ) 135 130 \Big[ \frac {r_{j-1}^2 \sin(\beta_\text{in}) 136 131 - (\beta_\text{in}^2-2) \cos(\beta_\text{in}) } 137 {\beta_\text{in}^4 } \Big] 138 139 &{} + 3 \rho_{ \text{inter}_i } ( r_{j+1} ) V ( r_j ) 132 {\beta_\text{in}^4 } \Big] \\ 133 {} + 3 \rho_{ \text{inter}_i } ( r_{j+1} ) V ( r_j ) 140 134 \Big[ \frac {\sin(\beta_\text{out}) - \cos(\beta_\text{out}) } 141 135 {\beta_\text{out}^4 } \Big] … … 152 146 \begin{align*} 153 147 V(a) &= \frac {4\pi}{3}a^3 && \\ 154 a_\text{in} &\sim \frac{r_j}{r_{j+1} -r_j} \text{, } &a_\text{out}155 &\sim \frac{r_{j+1}}{r_{j+1} -r_j} \\156 \beta_\text{in} &= qr_j \text{, } & \beta_\text{out} &= qr_{j+1}148 a_\text{in} \sim \frac{r_j}{r_{j+1} -r_j} \text{, } & a_\text{out} 149 \sim \frac{r_{j+1}}{r_{j+1} -r_j} \\ 150 \beta_\text{in} &= qr_j \text{, } & \beta_\text{out} &= qr_{j+1} 157 151 \end{align*} 158 152
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