Changeset 01c8d9e in sasmodels for sasmodels/kerneldll.py

Timestamp:

Aug 7, 2018 12:32:18 PM (6 years ago)

Author:

Suczewski <ges3@…>

Branches:

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

Children:

c11d09f

Parents:

707cbdb

Message:

beta approximation, first pass

File:

• sasmodels/kerneldll.py (modified) (5 diffs)

sasmodels/kerneldll.py

@@ -258 +258 @@
         # Note: if there is a syntax error then compile raises an error
         # and the source file will not be deleted.
-        os.unlink(filename)
-        #print("saving compiled file in %r"%filename)
+        #os.unlink(filename)
+        print("saving compiled file in %r"%filename)
     return dll
 
@@ -371 +371 @@
     def __init__(self, kernel, model_info, q_input):
         # type: (Callable[[], np.ndarray], ModelInfo, PyInput) -> None
+        #,model_info,q_input)
         self.kernel = kernel
         self.info = model_info
@@ -376 +377 @@
         self.dtype = q_input.dtype
         self.dim = '2d' if q_input.is_2d else '1d'
-        self.result = np.empty(q_input.nq+1, q_input.dtype)
+        self.result = np.empty(2*q_input.nq+2, q_input.dtype)
         self.real = (np.float32 if self.q_input.dtype == generate.F32
                      else np.float64 if self.q_input.dtype == generate.F64
                      else np.float128)
 
-    def __call__(self, call_details, values, cutoff, magnetic):
+    def Iq(self, call_details, values, cutoff, magnetic):
         # type: (CallDetails, np.ndarray, np.ndarray, float, bool) -> np.ndarray
-
+        self._call_kernel(call_details, values, cutoff, magnetic)
+        #print("returned",self.q_input.q, self.result)
+        pd_norm = self.result[self.q_input.nq]
+        scale = values[0]/(pd_norm if pd_norm != 0.0 else 1.0)
+        background = values[1]
+        #print("scale",scale,background)
+        return scale*self.result[:self.q_input.nq] + background
+    __call__ = Iq
+
+    def beta(self, call_details, values, cutoff, magnetic):
+        # type: (CallDetails, np.ndarray, np.ndarray, float, bool) -> np.ndarray
+        self._call_kernel(call_details, values, cutoff, magnetic)
+        w_norm = self.result[2*self.q_input.nq + 1]
+        pd_norm = self.result[self.q_input.nq]
+        if w_norm == 0.:
+            w_norm = 1.
+        F2 = self.result[:self.q_input.nq]/w_norm
+        F1 = self.result[self.q_input.nq+1:2*self.q_input.nq+1]/w_norm
+        volume_avg = pd_norm/w_norm
+        return F1, F2, volume_avg
+
+    def _call_kernel(self, call_details, values, cutoff, magnetic):
         kernel = self.kernel[1 if magnetic else 0]
         args = [
@@ -390 +412 @@
             None, # pd_stop pd_stride[MAX_PD]
             call_details.buffer.ctypes.data, # problem
-            values.ctypes.data,  #pars
-            self.q_input.q.ctypes.data, #q
+            values.ctypes.data,  # pars
+            self.q_input.q.ctypes.data, # q
             self.result.ctypes.data,   # results
             self.real(cutoff), # cutoff
         ]
-        #print("Calling DLL")
+        #print(self.beta_result.ctypes.data)
+#        print("Calling DLL line 397")
+#        print("values", values)
         #call_details.show(values)
         step = 100
@@ -403 +427 @@
             kernel(*args) # type: ignore
 
-        #print("returned",self.q_input.q, self.result)
-        pd_norm = self.result[self.q_input.nq]
-        scale = values[0]/(pd_norm if pd_norm != 0.0 else 1.0)
-        background = values[1]
-        #print("scale",scale,background)
-        return scale*self.result[:self.q_input.nq] + background
-
     def release(self):
         # type: () -> None