Changeset 8a5f021 in sasmodels for example/model_ellipsoid_hayter_msa.py

Timestamp:

May 31, 2017 12:02:34 PM (7 years ago)

Author:

Paul Kienzle <pkienzle@…>

Branches:

master, core_shell_microgels, costrafo411, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests

Children:

8bc1a4b

Parents:

1f7792e

Message:

batch fit example: PEP8 cleanup; add .csv output; all pars on one plot; more flexible option handling

File:

• example/model_ellipsoid_hayter_msa.py (modified) (3 diffs)

example/model_ellipsoid_hayter_msa.py

@@ -1 @@
-#!/usr/bin/env python
-# -*- coding: utf-8 -*-
-
-# To Sasview/documents/scripts
-
 import sys
 #sys.path.append('path_to_sasmodels')
+
+import numpy as np
 
 from bumps.names import *
@@ -11 +8 @@
 from sasmodels.bumps_model import Model, Experiment
 from sasmodels.data import load_data, plot_data
-import numpy as np
-import matplotlib.pyplot as plt
 
-
-""" IMPORT THE DATA USED """
-data = load_data('data.txt')
+# IMPORT THE DATA USED
+data = load_data(sys.argv[1])
 
 #setattr(data, 'qmin', 0.0)
 #setattr(data, 'qmax', 10.0)
 
-""" DEFINE THE MODEL """
-kernel = load_model('ellipsoid*hayter_msa', dtype="double")
+# DEFINE THE MODEL
+kernel = load_model('ellipsoid*hayter_msa')
 
-pars = dict(scale=6.4, background=0.06, sld=0.33, sld_solvent=2.15, radius_polar=14.0, 
-            radius_equatorial=24.0, volfraction=0.075, charge=66.373, temperature=298.0, 
+pars = dict(scale=6.4, background=0.06, sld=0.33, sld_solvent=2.15, radius_polar=14.0,
+            radius_equatorial=24.0, volfraction=0.075, charge=66.373, temperature=298.0,
             concentration_salt=0.001, dielectconst=71.0)
-            
+
 model = Model(kernel, **pars)
 
-""" PARAMETER RANGES (ONLY THOSE PARAMETERS ARE FITTED) """
+# PARAMETER RANGES (ONLY THOSE PARAMETERS ARE FITTED)
 model.scale.range(0, inf)
 model.background.range(-inf, inf)
@@ -43 +37 @@
 #model.dielectconst.range(0,inf)
 
-
 M = Experiment(data=data, model=model)
 
 problem = FitProblem(M)
-