Changeset ff31782 in sasmodels

Timestamp:

Nov 6, 2017 4:10:09 PM (7 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

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

Children:

d4db147

Parents:

74768cb

Message:

add -ngauss option to compare in order to set the number of integration points

Location:

sasmodels

Files:

• compare.py (modified) (9 diffs)
• generate.py (modified) (1 diff)
• gengauss.py (added)

sasmodels/compare.py

@@ -44 +44 @@
 from .direct_model import DirectModel, get_mesh
 from .convert import revert_name, revert_pars, constrain_new_to_old
-from .generate import FLOAT_RE
+from .generate import FLOAT_RE, set_integration_size
 from .weights import plot_weights
 
@@ -801 +801 @@
     return data, index
 
-def make_engine(model_info, data, dtype, cutoff):
+def make_engine(model_info, data, dtype, cutoff, ngauss=0):
     # type: (ModelInfo, Data, str, float) -> Calculator
     """
@@ -809 +809 @@
     than OpenCL.
     """
+    if ngauss:
+        set_integration_size(model_info, ngauss)
+
     if dtype == 'sasview':
         return eval_sasview(model_info, data)
@@ -1045 +1048 @@
     'poly', 'mono', 'cutoff=',
     'magnetic', 'nonmagnetic',
-    'accuracy=',
+    'accuracy=', 'ngauss=',
     'neval=',  # for timing...
 
@@ -1179 +1182 @@
         'show_weights' : False,
         'sphere'    : 0,
+        'ngauss'    : '0',
     }
     for arg in flags:
@@ -1205 +1209 @@
         elif arg.startswith('-engine='):   opts['engine'] = arg[8:]
         elif arg.startswith('-neval='):    opts['count'] = arg[7:]
+        elif arg.startswith('-ngauss='):   opts['ngauss'] = arg[8:]
         elif arg.startswith('-random='):
             opts['seed'] = int(arg[8:])
@@ -1260 +1265 @@
 
     comparison = any(PAR_SPLIT in v for v in values)
+
     if PAR_SPLIT in name:
         names = name.split(PAR_SPLIT, 2)
@@ -1272 +1278 @@
         return None
 
+    if PAR_SPLIT in opts['ngauss']:
+        opts['ngauss'] = [int(k) for k in opts['ngauss'].split(PAR_SPLIT, 2)]
+        comparison = True
+    else:
+        opts['ngauss'] = [int(opts['ngauss'])]*2
+
     if PAR_SPLIT in opts['engine']:
         opts['engine'] = opts['engine'].split(PAR_SPLIT, 2)
@@ -1290 +1302 @@
         opts['cutoff'] = [float(opts['cutoff'])]*2
 
-    base = make_engine(model_info[0], data, opts['engine'][0], opts['cutoff'][0])
+    base = make_engine(model_info[0], data, opts['engine'][0],
+                       opts['cutoff'][0], opts['ngauss'][0])
     if comparison:
-        comp = make_engine(model_info[1], data, opts['engine'][1], opts['cutoff'][1])
+        comp = make_engine(model_info[1], data, opts['engine'][1],
+                           opts['cutoff'][1], opts['ngauss'][1])
     else:
         comp = None

sasmodels/generate.py

@@ -268 +268 @@
 """
 
+
+def set_integration_size(info, n):
+    # type: (ModelInfo, int) -> None
+    """
+    Update the model definition, replacing the gaussian integration with
+    a gaussian integration of a different size.
+
+    Note: this really ought to be a method in modelinfo, but that leads to
+    import loops.
+    """
+    if (info.source and any(lib.startswith('lib/gauss') for lib in info.source)):
+        import os.path
+        from .gengauss import gengauss
+        path = os.path.join(MODEL_PATH, "lib", "gauss%d.c"%n)
+        if not os.path.exists(path):
+            gengauss(n, path)
+        info.source = ["lib/gauss%d.c"%n if lib.startswith('lib/gauss')
+                        else lib for lib in info.source]
 
 def format_units(units):