Changeset a738209 in sasmodels for sasmodels/details.py

Timestamp:

Jul 15, 2016 7:33:33 AM (8 years ago)

Author:

Paul Kienzle <pkienzle@…>

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:

def2c1b

Parents:

98ba1fc

Message:

simplify kernels by remove coordination parameter logic

File:

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

sasmodels/details.py

@@ +1 @@
+from __future__ import print_function
+
 import numpy as np  # type: ignore
 
@@ -15 +17 @@
         parameters = model_info.parameters
         max_pd = parameters.max_pd
-        npars = parameters.npars
-        par_offset = 4*max_pd
-        self.buffer = np.zeros(par_offset + 3 * npars + 4, 'i4')
+
+        # Structure of the call details buffer:
+        #   pd_par[max_pd]     pd params in order of length
+        #   pd_length[max_pd]  length of each pd param
+        #   pd_offset[max_pd]  offset of pd values in parameter array
+        #   pd_stride[max_pd]  index of pd value in loop = n//stride[k]
+        #   pd_prod            total length of pd loop
+        #   pd_sum             total length of the weight vector
+        #   num_active         number of pd params
+        #   theta_par          parameter number for theta parameter
+        self.buffer = np.zeros(4*max_pd + 4, 'i4')
 
         # generate views on different parts of the array
@@ -24 +34 @@
         self._pd_offset  = self.buffer[2 * max_pd:3 * max_pd]
         self._pd_stride  = self.buffer[3 * max_pd:4 * max_pd]
-        self._par_offset = self.buffer[par_offset + 0 * npars:par_offset + 1 * npars]
-        self._par_coord  = self.buffer[par_offset + 1 * npars:par_offset + 2 * npars]
-        self._pd_coord   = self.buffer[par_offset + 2 * npars:par_offset + 3 * npars]
 
         # theta_par is fixed
-        self.buffer[-1] = parameters.theta_offset
+        self.theta_par = parameters.theta_offset
 
     @property
@@ -44 +51 @@
 
     @property
-    def pd_coord(self): return self._pd_coord
+    def pd_prod(self): return self.buffer[-4]
+    @pd_prod.setter
+    def pd_prod(self, v): self.buffer[-4] = v
 
     @property
-    def par_coord(self): return self._par_coord
+    def pd_sum(self): return self.buffer[-3]
+    @pd_sum.setter
+    def pd_sum(self, v): self.buffer[-3] = v
 
     @property
-    def par_offset(self): return self._par_offset
-
-    @property
-    def num_active(self): return self.buffer[-4]
+    def num_active(self): return self.buffer[-2]
     @num_active.setter
-    def num_active(self, v): self.buffer[-4] = v
-
-    @property
-    def total_pd(self): return self.buffer[-3]
-    @total_pd.setter
-    def total_pd(self, v): self.buffer[-3] = v
-
-    @property
-    def num_coord(self): return self.buffer[-2]
-    @num_coord.setter
-    def num_coord(self, v): self.buffer[-2] = v
+    def num_active(self, v): self.buffer[-2] = v
 
     @property
     def theta_par(self): return self.buffer[-1]
+    @theta_par.setter
+    def theta_par(self, v): self.buffer[-1] = v
 
     def show(self):
-        print("total_pd", self.total_pd)
         print("num_active", self.num_active)
+        print("pd_prod", self.pd_prod)
+        print("pd_sum", self.pd_sum)
+        print("theta par", self.theta_par)
         print("pd_par", self.pd_par)
         print("pd_length", self.pd_length)
         print("pd_offset", self.pd_offset)
         print("pd_stride", self.pd_stride)
-        print("par_offsets", self.par_offset)
-        print("num_coord", self.num_coord)
-        print("par_coord", self.par_coord)
-        print("pd_coord", self.pd_coord)
-        print("theta par", self.buffer[-1])
 
 def mono_details(model_info):
     call_details = CallDetails(model_info)
-    # The zero defaults for monodisperse systems are mostly fine
-    call_details.par_offset[:] = np.arange(2, len(call_details.par_offset)+2)
+    call_details.pd_prod = 1
     return call_details
 
 def poly_details(model_info, weights):
     #print("weights",weights)
-    weights = weights[2:] # Skip scale and background
+    #weights = weights[2:] # Skip scale and background
 
     # Decreasing list of polydispersity lengths
-    # Note: the reversing view, x[::-1], does not require a copy
     pd_length = np.array([len(w) for w in weights])
     num_active = np.sum(pd_length>1)
@@ -101 +96 @@
 
     pd_offset = np.cumsum(np.hstack((0, pd_length)))
+    # Note: the reversing view, x[::-1], does not require a copy
     idx = np.argsort(pd_length)[::-1][:num_active]
-    par_length = np.array([max(len(w),1) for w in weights])
+    par_length = np.array([len(w) for w in weights])
     pd_stride = np.cumprod(np.hstack((1, par_length[idx])))
-    par_offsets = np.cumsum(np.hstack((2, par_length)))
 
     call_details = CallDetails(model_info)
-    call_details.pd_par[:num_active] = idx
+    call_details.pd_par[:num_active] = idx - 2  # skip background & scale
     call_details.pd_length[:num_active] = pd_length[idx]
     call_details.pd_offset[:num_active] = pd_offset[idx]
     call_details.pd_stride[:num_active] = pd_stride[:-1]
-    call_details.par_offset[:] = par_offsets[:-1]
-    call_details.total_pd = pd_stride[-1]
+    call_details.pd_prod = pd_stride[-1]
+    call_details.pd_sum = np.sum(par_length)
     call_details.num_active = num_active
-    # Without constraints coordinated parameters are just the pd parameters
-    call_details.par_coord[:num_active] = idx
-    call_details.pd_coord[:num_active] = 2**np.arange(num_active)
-    call_details.num_coord = num_active
     #call_details.show()
     return call_details
-
-def constrained_poly_details(model_info, weights, constraints):
-    # Need to find the independently varying pars and sort them
-    # Need to build a coordination list for the dependent variables
-    # Need to generate a constraints function which takes values
-    # and weights, returning par blocks
-    raise NotImplementedError("Can't handle constraints yet")
-