Changeset a953943 in sasmodels

Timestamp:

Aug 8, 2014 2:29:10 PM (10 years ago)

Author:

HMP1 <helen.park@…>

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

4001d6e

Parents:

ae7d639

Message:

The Core-Shell isn't working

Files:

• Kernel/Kernel-CoreShellCylinder_f.cpp (added)
• Kernel/Kernel-Cylinder_f.cpp (modified) (3 diffs)
• Kernel/Kernel-Ellipse_f.cpp (modified) (2 diffs)
• Models/code_coreshellcyl_f.py (added)
• compare.py (modified) (2 diffs)
• fit.py (modified) (4 diffs)
• sasmodel.py (modified) (1 diff)

Kernel/Kernel-Cylinder_f.cpp

@@ -85 +85 @@
                 const real lv = loops[2*(li+Nradius)];
                 const real lw = loops[2*(li+Nradius)+1];
-                vol += rw*lw*rv*rv*lv*Ntheta*Nphi;
-               norm_vol += rw*lw*Ntheta*Nphi;
                 for (int thi=0; thi < Ntheta; thi++) {
                     const real thv = loops[2*(thi+Nradius+Nlength)];
@@ -100 +98 @@
                             ret += f(qxi, qyi, sub, rv, lv, weight, thv, phv);
                             norm += weight;
+                            vol += rw*lw*rv*rv*lv;
+                            norm_vol += rw*lw;
                         }
                     }
@@ -105 +105 @@
             }
         }
-        if (Ntheta>1) norm = norm/(M_PI/2);
+        //if (Ntheta>1) norm = norm/(M_PI/2);
         if (vol != REAL(0.0) && norm_vol != REAL(0.0)) {
             ret *= norm_vol/vol;

Kernel/Kernel-Ellipse_f.cpp

@@ -73 +73 @@
                 const real rbv = loops[2*(bi+Nradius_a)];
                 const real rbw = loops[2*(bi+Nradius_a)+1];
-                vol += raw*rbw*rav*rbv*rbv*Ntheta*Nphi;
-                norm_vol += raw*rbw*Ntheta*Nphi;
                 for (int thi=0; thi < Ntheta; thi++) {
                     const real thv = loops[2*(thi+Nradius_a+Nradius_b)];
@@ -88 +86 @@
                             ret += f(qxi, qyi, sub, rav, rbv, weight, thv, phv);
                             norm += weight;
+                            vol += raw*rbw*rav*rbv*rbv;
+                            norm_vol += raw*rbw;
                         }
                     }

compare.py

@@ -117 +117 @@
 
     model = sasview_model('CoreShellCylinder', **pars)
-    from Models.code_coreshellcyl import GpuCoreShellCylinder as gpumodel
+    from Models.code_coreshellcyl_f import GpuCoreShellCylinder as gpumodel
 
     plot(data, model, gpumodel, N, pars)
@@ -176 +176 @@
 
 if __name__ == "__main__":
-    cyl(2)
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+    coreshell(1)
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fit.py

@@ -5 +5 @@
 from sasmodel import SasModel, load_data, set_beam_stop, set_half, set_top
 from Models.code_capcyl import GpuCapCylinder
-from Models.code_coreshellcyl import GpuCoreShellCylinder
+from Models.code_coreshellcyl_f import GpuCoreShellCylinder
 from Models.code_cylinder_f import GpuCylinder
 #from Models.code_cylinder import GpuCylinder, OneDGpuCylinder
@@ -18 +18 @@
 """ SET INNER BEAM STOP, OUTER RING, AND MASK HALF OF THE DATA """
 set_beam_stop(data, 0.004)#, outer=0.025)
-#set_top(data, -.018)
+set_top(data, -.018)
 #set_half(data, 'right')
 
@@ -31 +31 @@
 
 
-if 1:
+if 0:
     model = SasModel(data, GpuEllipse,
     scale=0.08,
@@ -104 +104 @@
 
 
-if 0:
+if 1:
     model = SasModel(data, GpuCoreShellCylinder,
-    scale= .00031, radius=19.5, thickness=30, length=22,
+    scale= .031, radius=19.5, thickness=30, length=22,
     core_sld=7.105e-6, shell_sld=.291e-6, solvent_sld=7.105e-6,
-    background=0.2, axis_theta=0, axis_phi=0,
+    background=0, axis_theta=0, axis_phi=0,
 
     radius_pd=0.26, radius_pd_n=10, radius_pd_nsigma=3,

sasmodel.py

@@ -101 +101 @@
     vmin = min(mdata.min(), mtheory.min())
     vmax = max(mdata.max(), mtheory.max())
+    print np.exp(np.mean(mtheory)), np.std(mtheory),np.max(mtheory),np.min(mtheory)
 
     plt.subplot(1, 3, 1)