Changeset 9300bfa in sasview for src/sas/sasgui/perspectives/fitting

Timestamp:

Dec 7, 2016 8:33:45 AM (7 years ago)

Author:

GitHub <noreply@…>

Branches:

master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

3f039933, d7d0182, 7b8365e, b2b36932, 128c287

Parents:

5231948 (diff), ca1eaeb (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

git-author:

Wojciech Potrzebowski <Wojciech.Potrzebowski@…> (12/07/16 08:33:45)

git-committer:

GitHub <noreply@…> (12/07/16 08:33:45)

Message:

Merge pull request #19 from SasView?/ticket-772

Added descriptions of special functions located in sasmodels/../lib to p…

Location:

src/sas/sasgui/perspectives/fitting

Files:

• media/plugin.rst (modified) (2 diffs)
• fitting.py (modified) (2 diffs)

src/sas/sasgui/perspectives/fitting/media/plugin.rst

@@ -560 +560 @@
 
     M_PI_180, M_4PI_3:
-        $\pi/{180}$, $\tfrac{4}{3}\pi$
+        $\frac{\pi}{180}$, $\frac{4\pi}{3}$
     SINCOS(x, s, c):
         Macro which sets s=sin(x) and c=cos(x). The variables *c* and *s*
@@ -596 +596 @@
 These functions have been tuned to be fast and numerically stable down
 to $q=0$ even in single precision.  In some cases they work around bugs
-which appear on some platforms but not others. So use them where needed!!!
+which appear on some platforms but not others, so use them where needed.
+Add the files listed in :code:`source = ["lib/file.c", ...]` to your *model.py*
+file in the order given, otherwise these functions will not be available.
 
     polevl(x, c, n):
-        Polynomial evaluation $p(x) = \sum_{i=0}^n c_i x^{n-i}$ using Horner's
+        Polynomial evaluation $p(x) = \sum_{i=0}^n c_i x^i$ using Horner's
         method so it is faster and more accurate.
 
+        $c = \{c_n, c_{n-1}, \ldots, c_0 \}$ is the table of coefficients,
+        sorted from highest to lowest.
+
+        :code:`source = ["lib/polevl.c", ...]` (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/polevl.c>`_)
+
+    p1evl(x, c, n):
+        Evaluation of normalized polynomial $p(x) = x^n + \sum_{i=0}^{n-1} c_i x^i$
+        using Horner's method so it is faster and more accurate.
+
+        $c = \{c_{n-1}, c_{n-2} \ldots, c_0 \}$ is the table of coefficients,
+        sorted from highest to lowest.
+
         :code:`source = ["lib/polevl.c", ...]`
-
-    sas_gamma:
-        Gamma function $\text{sas_gamma}(x) = \Gamma(x)$.  The standard math
-        library gamma function, tgamma(x) is unstable below 1 on some platforms.
+        (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/polevl.c>`_)
+
+    sas_gamma(x):
+        Gamma function $\text{sas_gamma}(x) = \Gamma(x)$.
+
+        The standard math function, tgamma(x) is unstable for $x < 1$
+        on some platforms.
 
         :code:`source = ["lib/sasgamma.c", ...]`
-
-    erf, erfc:
+        (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_gamma.c>`_)
+
+    sas_erf(x), sas_erfc(x):
         Error function
-        $\text{erf}(x) = \frac{1}{\sqrt\pi}\int_0^x e^{-t^2}\,dt$
+        $\text{sas_erf}(x) = \frac{2}{\sqrt\pi}\int_0^x e^{-t^2}\,dt$
         and complementary error function
-        $\text{erfc}(x) = \frac{1}{\sqrt\pi}\int_x^\inf e^{-t^2}\,dt$.
-        The standard math library erf and erfc are slower and broken
+        $\text{sas_erfc}(x) = \frac{2}{\sqrt\pi}\int_x^{\infty} e^{-t^2}\,dt$.
+
+        The standard math functions erf(x) and erfc(x) are slower and broken
         on some platforms.
 
         :code:`source = ["lib/polevl.c", "lib/sas_erf.c", ...]`
-
-    sas_J0:
-        Bessel function of the first kind where
+        (`link to error functions' code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_erf.c>`_)
+
+    sas_J0(x):
+        Bessel function of the first kind $\text{sas_J0}(x)=J_0(x)$ where
         $J_0(x) = \frac{1}{\pi}\int_0^\pi \cos(x\sin(\tau))\,d\tau$.
 
+        The standard math function j0(x) is not available on all platforms.
+
         :code:`source = ["lib/polevl.c", "lib/sas_J0.c", ...]`
-
-    sas_J1:
-        Bessel function of the first kind where
+        (`link to Bessel function's code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_J0.c>`_)
+
+    sas_J1(x):
+        Bessel function of the first kind  $\text{sas_J1}(x)=J_1(x)$ where
         $J_1(x) = \frac{1}{\pi}\int_0^\pi \cos(\tau - x\sin(\tau))\,d\tau$.
 
+        The standard math function j1(x) is not available on all platforms.
+
         :code:`source = ["lib/polevl.c", "lib/sas_J1.c", ...]`
-
-    sas_JN:
-        Bessel function of the first kind where
+        (`link to Bessel function's code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_J1.c>`_)
+
+    sas_JN(n, x):
+        Bessel function of the first kind and integer order $n$:
+        $\text{sas_JN}(n, x)=J_n(x)$ where
         $J_n(x) = \frac{1}{\pi}\int_0^\pi \cos(n\tau - x\sin(\tau))\,d\tau$.
+        If $n$ = 0 or 1, it uses sas_J0(x) or sas_J1(x), respectively.
+
+        The standard math function jn(n, x) is not available on all platforms.
 
         :code:`source = ["lib/polevl.c", "lib/sas_J0.c", "lib/sas_J1.c", "lib/sas_JN.c", ...]`
-
-    Si:
+        (`link to Bessel function's code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_JN.c>`_)
+
+    Si(x):
         Sine integral $\text{Si}(x) = \int_0^x \tfrac{\sin t}{t}\,dt$.
 
-        :code:`soure = ["lib/Si.c", ...]`
-
-    sph_j1c(qr):
+        This function uses Taylor series for small and large arguments:
+
+        For large arguments,
+
+        .. math::
+
+             \text{Si}(x) \sim \frac{\pi}{2}
+             - \frac{\cos(x)}{x}\left(1 - \frac{2!}{x^2} + \frac{4!}{x^4} - \frac{6!}{x^6} \right)
+             - \frac{\sin(x)}{x}\left(\frac{1}{x} - \frac{3!}{x^3} + \frac{5!}{x^5} - \frac{7!}{x^7}\right)
+
+        For small arguments,
+
+        .. math::
+
+           \text{Si}(x) \sim x
+           - \frac{x^3}{3\times 3!} + \frac{x^5}{5 \times 5!} - \frac{x^7}{7 \times 7!}
+           + \frac{x^9}{9\times 9!} - \frac{x^{11}}{11\times 11!}
+
+        :code:`source = ["lib/Si.c", ...]`
+        (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/Si.c>`_)
+
+    sph_j1c(x):
         Spherical Bessel form
-        $F(qr) = 3 j_1(qr)/(qr) = 3 (\sin(qr) - qr \cos(qr))/{(qr)^3}$,
-        with a limiting value of 1 at $qr=0$.  This function uses a Taylor
-        series for small $qr$ for numerical accuracy.
+        $\text{sph_j1c}(x) = 3 j_1(x)/x = 3 (\sin(x) - x \cos(x))/x^3$,
+        with a limiting value of 1 at $x=0$, where $j_1(x)$ is the spherical
+        Bessel function of the first kind and first order.
+
+        This function uses a Taylor series for small $x$ for numerical accuracy.
 
         :code:`source = ["lib/sph_j1c.c", ...]`
-
-    sas_J1c(qr):
-        Bessel form $F(qr) = 2 J_1(qr)/{(qr)}$, with a limiting value of 1 at $qr=0$.
+        (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sph_j1c.c>`_)
+
+
+    sas_J1c(x):
+        Bessel form $\text{sas_J1c}(x) = 2 J_1(x)/x$, with a limiting value
+        of 1 at $x=0$, where $J_1(x)$ is the Bessel function of first kind
+        and first order.
 
         :code:`source = ["lib/polevl.c", "lib/sas_J1.c", ...]`
-
-    Gauss76z[i], Gauss76Wt[i]:
-        Points $z_i$ and weights $w_i$ for 76-point Gaussian quadrature,
-        computing $\int_{-1}^1 f(z)\,dz \approx \sum_{i=1}^{76} w_i f(z_i)$.
-        Similar arrays are available in :code:`gauss20.c` for 20 point
-        quadrature and in :code:`gauss150.c` for 150 point quadrature.
-
-        :code:`source = ["gauss76.c", ...]`
+        (`link to Bessel form's code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/sas_J1.c>`_)
+
+
+    Gauss76Z[i], Gauss76Wt[i]:
+        Points $z_i$ and weights $w_i$ for 76-point Gaussian quadrature, respectively,
+        computing $\int_{-1}^1 f(z)\,dz \approx \sum_{i=1}^{76} w_i\,f(z_i)$.
+
+        Similar arrays are available in :code:`gauss20.c` for 20-point
+        quadrature and in :code:`gauss150.c` for 150-point quadrature.
+
+        :code:`source = ["lib/gauss76.c", ...]`
+        (`link to code <https://github.com/SasView/sasmodels/tree/master/sasmodels/models/lib/gauss76.c>`_)
+
+
 
 Problems with C models

src/sas/sasgui/perspectives/fitting/fitting.py

@@ -1521 +1521 @@
             for uid in page_id:
                 res = result[index]
+                fit_msg = res.mesg
                 if res.fitness is None or \
                     not numpy.isfinite(res.fitness) or \
                     numpy.any(res.pvec == None) or \
                     not numpy.all(numpy.isfinite(res.pvec)):
-                    msg = "Fitting did not converge!!!"
-                    evt = StatusEvent(status=msg, info="warning", type="stop")
-                    wx.PostEvent(self.parent, evt)
+                    fit_msg += "\nFitting did not converge!!!"
                     wx.CallAfter(self._update_fit_button, page_id)
                 else:
@@ -1550 +1549 @@
                         wx.CallAfter(cpage._on_fit_complete)
                     except KeyboardInterrupt:
-                        msg = "Singular point: Fitting Stoped."
-                        evt = StatusEvent(status=msg, info="info", type="stop")
-                        wx.PostEvent(self.parent, evt)
+                        fit_msg += "\nSingular point: Fitting stopped."
                     except:
-                        msg = "Singular point: Fitting Error occurred."
-                        evt = StatusEvent(status=msg, info="error", type="stop")
-                        wx.PostEvent(self.parent, evt)
+                        fit_msg += "\nSingular point: Fitting error occurred."
+                if fit_msg:
+                   evt = StatusEvent(status=fit_msg, info="warning", type="stop")
+                   wx.PostEvent(self.parent, evt)
 
         except: