Changeset 589b740 in sasmodels

Timestamp:

Nov 20, 2016 5:43:52 AM (8 years ago)

Author:

jhbakker

Branches:

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

Children:

26b848d

Parents:

46d9f48

Message:

test branch for SEsans class in sesans.py

Location:

sasmodels

Files:

• resolution.py (modified) (1 diff)
• sesans.py (modified) (4 diffs)

sasmodels/resolution.py

@@ -66 +66 @@
         self.q_calc = q_calc
     def apply(self, theory):
-        return sesans.hankeltrafo(self.H0, self.H, theory)
+        return sesans.SesansTransform.apply(theory)
+        #return sesans.hankeltrafo(self.H0, self.H, theory)
 
 """

sasmodels/sesans.py

@@ -14 +14 @@
 import numpy as np  # type: ignore
 from numpy import pi, exp  # type: ignore
-from scipy.special import jv as besselj
+#from scipy.special import jv as besselj
 from scipy.special import j0
-#from mpmath import j0
-from mpmath import besselj
-from mpmath import mpf
+#from mpmath import j0 as j0
+#from mpmath import besselj
+#from mpmath import mpf
 from src.sas.sascalc.data_util.nxsunit import Converter
 #from sas.sasgui.perspectives.fitting.fitpage import FitPage
@@ -42 +42 @@
 def Hankelconstructor(data):
     Rmax = 1000000
+    #Rmax = #value in text box?
     q_calc = make_q(data.sample.zacceptance, Rmax)
     SElength = Converter(data._xunit)(data.x, "A")
@@ -47 +48 @@
     H0 = dq / (2 * pi) * q_calc
     repSE, repq = np.meshgrid(SElength,q_calc)
+    repq=np.array(repq,dtype='f')
+    repSE=np.array(repSE,dtype='f')
     H = dq / (2 * pi) * j0(repSE*repq)*repq
     return H0, H, q_calc
@@ -55 +58 @@
     P = G - G0
     return P  # This is the logarithmic Polarization, not the linear one as found in Andersson2008!
+
+
+class SesansTransform(object):
+    #: Set of spin-echo lengths in the measured data
+    SElength = None  # type: np.ndarray
+    #: Maximum acceptance of scattering vector in the spin echo encoding dimension (for ToF: Q of min(R) and max(lam))
+    zaccept = None # type: float
+    #: Maximum size sensitivity; larger radius requires more computation
+    Rmax = None  # type: float
+    #: q values to calculate when computing transform
+    q = None  # type: np.ndarray
+
+    # transform arrays
+    _H = None  # type: np.ndarray
+    _H0 = None # type: np.ndarray
+
+    def set_transform(self, SE, zaccept, Rmax):
+        if self.SE is None or len(SE) != len(self.SE) or np.any(SE != self.SE) or zaccept != self.zaccept or Rmax != self.Rmax:
+            self.SE, self.zaccept, self.Rmax = SE, zaccept, Rmax
+            self._set_q()
+            self._set_hankel()
+
+    def apply(self, Iq):
+        G0 = np.dot(self._H0, Iq)
+        G = np.dot(self._H.T, Iq)
+        P = G - G0
+        return P
+
+    def _set_q(self):
+        q_min = dq = 0.1 * 2*pi / self.Rmax
+        q_max = self.zaccept
+        q=np.arange(q_min,q_max)
+        self.q = q
+        self.dq = dq
+
+    def _set_hankel(self):
+        #Rmax = #value in text box somewhere in FitPage?
+        q = self.q
+        dq = self.dq
+        SElength = self.SE
+
+        H0 = dq / (2 * pi) * q
+        repSE, repq = np.meshgrid(SElength,q)
+        repq=np.array(repq,dtype='f')
+        repSE=np.array(repSE,dtype='f')
+        H = dq / (2 * pi) * j0(repSE*repq)*repq
+
+        self._H, self._H0 = H, H0
+