Changeset 6e72989 in sasmodels for explore

Timestamp:

Oct 3, 2017 9:21:07 AM (7 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

3a220e6

Parents:

b76191e

Message:

clean up flexible cylinder; allow code to run on Intel HD 6000; improve precision

File:

• explore/precision.py (modified) (1 diff)

explore/precision.py

@@ -321 +321 @@
     np_function=lambda x: np.fmod(x, 2*np.pi),
     ocl_function=make_ocl("return fmod(q, 2*M_PI);", "sas_fmod"),
+)
+add_function(
+    name="debye",
+    mp_function=lambda x: 2*(mp.exp(-x**2) + x**2 - 1)/x**4,
+    np_function=lambda x: 2*(np.exp(-x**2) + x**2 - 1)/x**4,
+    ocl_function=make_ocl("""
+    const double qsq = q*q;
+    if (qsq < 0.1) {
+        const double x = qsq;
+        const double C0 = +1.;
+        const double C1 = -1./3.;
+        const double C2 = +1./12.;
+        const double C3 = -1./60.;
+        const double C4 = +1./360.;
+        const double C5 = -1./2520.;
+        const double C6 = +1./20160.;
+        const double C7 = -1./181440.;
+        //return ((((C5*x + C4)*x + C3)*x + C2)*x + C1)*x + C0;
+        return (((((C6*x + C5)*x + C4)*x + C3)*x + C2)*x + C1)*x + C0;
+        //return ((((((C7*x + C6)*x + C5)*x + C4)*x + C3)*x + C2)*x + C1)*x + C0;
+    } /* else if (qsq < 1.0) {
+        // taylor series around q^2 = 0.5
+        const double x = qsq - 0.5;
+        const double sqrt_e = sqrt(M_E);
+        const double C0 = 8./sqrt_e - 4.;
+        const double C1 = 24. - 40./sqrt_e;
+        const double C2 = 132./sqrt_e - 80.;
+        const double C3 = 224. - 1108./(3.*sqrt_e);
+        const double C4 = 2849./(3.*sqrt_e) - 576.;
+        const double C5 = 1408 - 11607./(5.*sqrt_e);
+        return ((((C5*x + C4)*x + C3)*x + C2)*x + C1)*x + C0;
+    } */ else {
+        return 2.*(exp(-qsq) + qsq - 1.)/(qsq*qsq);
+    }
+    """, "sas_debye"),
 )