Changes in / [1671636:670eee4] in sasmodels

Files:

• example/sesans_parameters_sphere.py (modified) (1 diff)
• example/sesansfit.py (modified) (2 diffs)
• sasmodels/bumps_model.py (modified) (1 diff)
• sasmodels/models/mass_fractal.py (modified) (1 diff)
• sasmodels/models/mass_surface_fractal.py (modified) (1 diff)
• sasmodels/models/surface_fractal.py (modified) (1 diff)

example/sesans_parameters_sphere.py

@@ -27 +27 @@
     "sld" : 7.0,
     "radius" : 1000,
-    "solvent_sld" : 1.0,
+    "sld_solvent" : 1.0,
 }
 

example/sesansfit.py

@@ -54 +54 @@
 
     # Load custom parameters, initial values and parameter ranges
+    pars = model.parameters().copy()
+    pars.update(custom_params)
     for k, v in custom_params.items():
+        if k not in pars:
+            par_error("Can't set parameter %r in model"%k, pars)
         setattr(model, k, v)
         model._parameter_names.append(k)
     for k, v in initial_vals.items():
-        param = model.parameters().get(k)
+        if k not in pars:
+            par_error("Can't get parameter %r from model"%k, pars)
+        param = pars[k]
         param.value = v
     for k, v in param_range.items():
-        param = model.parameters().get(k)
-        if param is not None:
-            param.range(*v)
+        if k not in pars:
+            par_error("Can't set range on parameter %r in model"%k, pars)
+        param = pars[k]
+        param.range(*v)
 
     if False: # for future implementation
@@ -73 +80 @@
         problem = FitProblem(M_sesans)
     return problem
+
+
+def par_error(msg, pars):
+    raise ValueError(msg+"\nAvailable parameters: %s"%", ".join(sorted(pars.keys())))

sasmodels/bumps_model.py

@@ -238 +238 @@
         Not Implemented.
         """
+        if self.data_type == "sesans":
+            np.savetxt(basename+".dat", np.array([self._data.x, self.theory()]).T)
         pass
 

sasmodels/models/mass_fractal.py

@@ -46 +46 @@
 
 
-Reference
----------
+References
+----------
 
 D Mildner and P Hall, *J. Phys. D: Appl. Phys.*,

sasmodels/models/mass_surface_fractal.py

@@ -46 +46 @@
 
 
-Reference
----------
+References
+----------
 
 P Schmidt, *J Appl. Cryst.*, 24 (1991) 414-435 Equation(19)

sasmodels/models/surface_fractal.py

@@ -45 +45 @@
 
 
-Reference
----------
+References
+----------
 
 D Mildner and P Hall, *J. Phys. D: Appl. Phys.*, 19 (1986) 1535-1545