Changeset f9245d4 in sasmodels

Timestamp:

Mar 20, 2016 9:43:34 AM (9 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:

f78a2a1

Parents:

0cbcec4

Message:

update design, noting that bkg/scale are special

File:

• sasmodels/kernel_iq.c (modified) (11 diffs)

sasmodels/kernel_iq.c

@@ -13 +13 @@
 
 /*
-The environment needs to provide the following #defines
+The environment needs to provide the following #defines:
+
    USE_OPENCL is defined if running in opencl
    KERNEL declares a function to be available externally
    KERNEL_NAME is the name of the function being declared
    NPARS is the number of parameters in the kernel
-   PARAMETER_TABLE is the declaration of the parameters to the kernel.
+   PARAMETER_DECL is the declaration of the parameters to the kernel.
 
        Cylinder:
 
-           #define PARAMETER_TABLE \
+           #define PARAMETER_DECL \
            double length; \
            double radius; \
            double sld; \
            double sld_solvent
+
+       Note: scale and background are not included
 
        Multi-shell cylinder (10 shell max):
@@ -65 +68 @@
            #define INVALID(var) (var.bell_radius > var.radius)
 
+       Model with complicated constraints:
+
+           inline bool constrained(p1, p2, p3) { return expression; }
+           #define INVALID(var) constrained(var.p1, var.p2, var.p3)
+
+   IQ_FUNC could be Iq or Iqxy
+   IQ_PARS could be q[i] or q[2*i],q[2*i+1]
+
 Our design supports a limited number of polydispersity loops, wherein
 we need to cycle through the values of the polydispersity, calculate
@@ -72 +83 @@
 calculator treats the parameter set as one long vector.
 
-Let's assume we have 6 polydisperse parameters
-0 : sld_solvent {s1 = constant}
-1: sld_material {s2 = constant}
-2: radius   {r = vector of 10pts}
-3: lenghth {l = vector of 30pts}
-4: background {b = constant}
-5: scale {s = constant}
+Let's assume we have 6 parameters in the model, with two polydisperse::
+
+    0: scale        {scl = constant}
+    1: background   {bkg = constant}
+    5: length       {l = vector of 30pts}
+    4: radius       {r = vector of 10pts}
+    3: sld          {s = constant/(radius**2*length)}
+    2: sld_solvent  {s2 = constant}
+
+This generates the following call to the kernel (where x stands for an
+arbitrary value that is not used by the kernel evaluator):
+
+    NPARS = 4  // scale and background are in all models
+    problem {
+        pd_par = {5, 4, x, x}     // parameters *radius* and *length* vary
+        pd_length = {30,10,0,0}   // *length* has more, so it is first
+        pd_offset = {10,0,x,x}    // *length* starts at index 10 in weights
+        pd_stride = {1,30,300,300} // cumulative product of pd length
+        par_offset = {2, 3, 303, 313}  // parameter offsets
+        par_coord = {0, 3, 2, 1} // bitmap of parameter dependencies
+        fast_coord_count = 2  // two parameters vary with *length* distribution
+        fast_coord_index = {5, 3, x, x, x, x}
+    }
+
+    weight = { l0, .., l29, r0, .., r9}
+    pars = { scl, bkg, l0, ..., l29, r0, r1, ..., r9,
+             s[l0,r0], ... s[l0,r9], s[l1,r0], ... s[l29,r9] , s2}
+
+    nq = 130
+    q = { q0, q1, ..., q130, x, x }  # pad to 8 element boundary
+    result = {r1, ..., r130, norm, vol, vol_norm, x, x, x, x, x, x, x}
+
 
 The polydisperse parameters are stored in as an array of parameter
 indices, one for each polydisperse parameter, stored in pd_par[n].
-For the above mentioned expample that will give pd_par = {3, 2, x, x},
-where x stands for abitrary number and 3 corresponds to longest parameter (lenght).
 Non-polydisperse parameters do not appear in this array. Each polydisperse
 parameter has a weight vector whose length is stored in pd_length[n],
-In our case pd_length = {30,10,0,0}. The weights are stored in
-a contiguous vector of weights for all parameters, with the starting position
-for the each parameter stored in pd_offset[n] (pd_offset = {10,0,x,x}.
-The values corresponding to the weights are stored together in a
-separate weights[] vector, with offset stored in par_offset[pd_par[n]].
-In the above mentioned example weight = {r0, .., r9, l0, .., l29}.
-Polydisperse parameters should be stored in decreasing order of length
-for highest efficiency.
+The weights are stored in a contiguous vector of weights for all
+parameters, with the starting position for the each parameter stored
+in pd_offset[n].  The values corresponding to the weights are stored
+together in a separate weights[] vector, with offset stored in
+par_offset[pd_par[n]]. Polydisperse parameters should be stored in
+decreasing order of length for highest efficiency.
 
 We limit the number of polydisperse dimensions to MAX_PD (currently 4).
@@ -136 +168 @@
 
 If there is no polydispersity we pretend that it is polydisperisty with one
-parameter.
+parameter, pd_start=0 and pd_stop=1.  We may or may not short circuit the
+calculation in this case, depending on how much time it saves.
 
 The problem details structure can be allocated and sent in as an integer
@@ -184 +217 @@
 } ParameterBlock;
 
-
+#define FULL_KERNEL_NAME KERNEL_NAME ## _ ## IQ_FUNC
 KERNEL
-void KERNEL_NAME(
+void FULL_KERNEL_NAME(
     int nq,                 // number of q values
     global const ProblemDetails *problem,
@@ -193 +226 @@
     global const double *q, // nq q values, with padding to boundary
     global double *result,  // nq return values, again with padding
-    global int *offset,     // nq+padding space for current parameter index
     const double cutoff,    // cutoff in the polydispersity weight product
     const int pd_start,     // where we are in the polydispersity loop
@@ -202 +234 @@
   // Storage for the current parameter values.  These will be updated as we
   // walk the polydispersity cube.
-  local ParameterBlock local_pars;
+  local ParameterBlock local_pars;  // current parameter values
   const double *parvec = &local_pars;  // Alias named parameters with a vector
+
+  local int offset[NPARS-2];
 
 #if defined(USE_SHORTCUT_OPTIMIZATION)
@@ -209 +243 @@
     // Shouldn't need to copy!!
     for (int k=0; k < NPARS; k++) {
-      parvec[k] = pars[k];
+      parvec[k] = pars[k+2];  // skip scale and background
     }
 
@@ -218 +252 @@
     {
       const double scattering = IQ_FUNC(IQ_PARS, IQ_PARAMETERS);
-      result[i] += local_pars.scale*scattering + local_pars.background;
+      result[i] += pars[0]*scattering + pars[1];
     }
     return;
@@ -254 +288 @@
   local int pd_index[PD_MAX];
 
-  // Set the initial index greater than its vector length in order to
-  // trigger the reset behaviour that happens at the end the fast loop.
+  // Trigger the reset behaviour that happens at the end the fast loop
+  // by setting the initial index >= weight vector length.
   pd_index[0] = pd_length[0];
 
@@ -329 +363 @@
         result[i] *= norm_vol/vol;
       }
-        result[i] = local_pars.scale*result[i]/norm+local_pars.background;
+        result[i] = pars[0]*result[i]/norm + pars[1];
     }
   }