Changeset 17bbadd in sasmodels for sasmodels/direct_model.py

Timestamp:

Mar 15, 2016 12:47:12 PM (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:

754e27b

Parents:

5ceb7d0

Message:

refactor so all model defintion queries use model_info; better documentation of model_info structure; initial implementation of product model (broken)

File:

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

sasmodels/direct_model.py

@@ -25 +25 @@
 import numpy as np
 
-from .core import load_model_definition, load_model, make_kernel
-from .core import call_kernel, call_ER, call_VR
+from .core import make_kernel
+from .core import call_kernel, call_ER_VR
 from . import sesans
 from . import resolution
@@ -180 +180 @@
         return self._calc_theory(pars, cutoff=self.cutoff)
 
-    def ER(self, **pars):
-        """
-        Compute the equivalent radius for the model.
-
-        Return 0. if not defined.
-        """
-        return call_ER(self.model.info, pars)
-
-    def VR(self, **pars):
-        """
-        Compute the equivalent volume for the model, including polydispersity
-        effects.
-
-        Return 1. if not defined.
-        """
-        return call_VR(self.model.info, pars)
+    def ER_VR(self, **pars):
+        """
+        Compute the equivalent radius and volume ratio for the model.
+        """
+        return call_ER_VR(self.model.info, pars)
 
     def simulate_data(self, noise=None, **pars):
@@ -210 +199 @@
     import sys
     from .data import empty_data1D, empty_data2D
+    from .core import load_model_info, build_model
 
     if len(sys.argv) < 3:
@@ -216 +206 @@
     model_name = sys.argv[1]
     call = sys.argv[2].upper()
-    if call not in ("ER", "VR"):
+    if call != "ER_VR":
         try:
             values = [float(v) for v in call.split(',')]
@@ -233 +223 @@
         data = empty_data1D([0.001])  # Data not used in ER/VR
 
-    model_definition = load_model_definition(model_name)
-    model = load_model(model_definition)
+    model_info = load_model_info(model_name)
+    model = build_model(model_info)
     calculator = DirectModel(data, model)
     pars = dict((k, float(v))
                 for pair in sys.argv[3:]
                 for k, v in [pair.split('=')])
-    if call == "ER":
-        print(calculator.ER(**pars))
-    elif call == "VR":
-        print(calculator.VR(**pars))
+    if call == "ER_VR":
+        print(calculator.ER_VR(**pars))
     else:
         Iq = calculator(**pars)