Changeset 2e66ef5 in sasmodels

Timestamp:

May 8, 2017 12:16:09 AM (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:

a03fad8

Parents:

990d8df

Message:

add a short scripting guide; start in on developer docs

Files:

• doc/developer/calculator.rst (modified) (1 diff)
• doc/developer/index.rst (modified) (1 diff)
• doc/developer/overview.rst (added)
• doc/genapi.py (modified) (1 diff)
• doc/guide/index.rst (modified) (1 diff)
• doc/guide/scripting.rst (added)
• example/cylinder_eval.py (added)
• example/model.py (modified) (1 diff)
• sasmodels/core.py (modified) (3 diffs)

doc/developer/calculator.rst

@@ -7 +7 @@
 model calculator which implements the polydispersity and magnetic SLD
 calculations.  There are three separate implementations of this layer,
-*kernelcl.py* for OpenCL, which operates on a single Q value at a time,
-*kerneldll.c* for the DLL, which loops over a vector of Q values, and
-*kernelpy.py* for python models which operates on vector Q values.
+:mod:`kernelcl` for OpenCL, which operates on a single Q value at a time,
+:mod:`kerneldll` for the DLL, which loops over a vector of Q values, and
+:mod:`kernelpy` for python models which operates on vector Q values.
 
 Each implementation provides three different calls *Iq*, *Iqxy* and *Imagnetic*

doc/developer/index.rst

@@ -7 +7 @@
    :maxdepth: 4
 
+   overview.rst
    calculator.rst

doc/genapi.py

@@ -56 +56 @@
 
 modules = [
-    ('__init__', 'Top level namespace'),
+    ('__init__', 'Sasmodels package'),
     #('alignment', 'GPU data alignment [unused]'),
     ('bumps_model', 'Bumps interface'),

doc/guide/index.rst

@@ -15 +15 @@
    sesans/sesans_fitting.rst
    plugin.rst
+   scripting.rst
    refs.rst

example/model.py

@@ -17 +17 @@
 model = Model(kernel,
     scale=0.08,
-    r_polar=15, r_equatorial=800,
+    radius_polar=15, radius_equatorial=800,
     sld=.291, sld_solvent=7.105,
     background=0,
     theta=90, phi=0,
     theta_pd=15, theta_pd_n=40, theta_pd_nsigma=3,
-    r_polar_pd=0.222296, r_polar_pd_n=1, r_polar_pd_nsigma=0,
-    r_equatorial_pd=.000128, r_equatorial_pd_n=1, r_equatorial_pd_nsigma=0,
+    radius_polar_pd=0.222296, radius_polar_pd_n=1, radius_polar_pd_nsigma=0,
+    radius_equatorial_pd=.000128, radius_equatorial_pd_n=1, radius_equatorial_pd_nsigma=0,
     phi_pd=0, phi_pd_n=20, phi_pd_nsigma=3,
     )
 
 # SET THE FITTING PARAMETERS
-model.r_polar.range(15, 1000)
-model.r_equatorial.range(15, 1000)
+model.radius_polar.range(15, 1000)
+model.radius_equatorial.range(15, 1000)
 model.theta_pd.range(0, 360)
 model.background.range(0,1000)

sasmodels/core.py

@@ -117 +117 @@
     Load model info and build model.
 
-    *model_name* is the name of the model as used by :func:`load_model_info`.
-    Additional keyword arguments are passed directly to :func:`build_model`.
+    *model_name* is the name of the model, or perhaps a model expression
+    such as sphere*hardsphere or sphere+cylinder.
+
+    *dtype* and *platform* are given by :func:`build_model`.
     """
     return build_model(load_model_info(model_name),
@@ -128 +130 @@
     """
     Load a model definition given the model name.
+
+    *model_name* is the name of the model, or perhaps a model expression
+    such as sphere*hardsphere or sphere+cylinder.
 
     This returns a handle to the module defining the model.  This can be
@@ -227 +232 @@
 
     Possible types include 'half', 'single', 'double' and 'quad'.  If the
-    type is 'fast', then this is equivalent to dtype 'single' with the
-    fast flag set to True.
+    type is 'fast', then this is equivalent to dtype 'single' but using
+    fast native functions rather than those with the precision level guaranteed
+    by the OpenCL standard.
+
+    Platform preference can be specfied ("ocl" vs "dll"), with the default
+    being OpenCL if it is availabe.  If the dtype name ends with '!' then
+    platform is forced to be DLL rather than OpenCL.
+
+    This routine ignores the preferences within the model definition.  This
+    is by design.  It allows us to test models in single precision even when
+    we have flagged them as requiring double precision so we can easily check
+    the performance on different platforms without having to change the model
+    definition.
     """
     # Assign default platform, overriding ocl with dll if OpenCL is unavailable