Changeset 8fa3fb8 in sasview for src/sas/sascalc/data_util

Timestamp:

Mar 1, 2017 9:46:54 AM (8 years ago)

Author:

butler

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:

a97aebd

Parents:

cb1e9a5 (diff), 775e0b7 (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.

Message:

Merge remote-tracking branch 'origin/master' into expandable-de-688

File:

• src/sas/sascalc/data_util/qsmearing.py (modified) (6 diffs)

src/sas/sascalc/data_util/qsmearing.py

@@ -14 +14 @@
 import sys
 
+import numpy as np  # type: ignore
+from numpy import pi, exp # type:ignore
+
 from sasmodels.resolution import Slit1D, Pinhole1D
+from sasmodels.sesans import SesansTransform
 from sasmodels.resolution2d import Pinhole2D
+from .nxsunit import Converter
 
 def smear_selection(data, model = None):
@@ -36 +41 @@
     # Sanity check. If we are not dealing with a SAS Data1D
     # object, just return None
+    # This checks for 2D data (does not throw exception because fail is common)
     if  data.__class__.__name__ not in ['Data1D', 'Theory1D']:
         if data == None:
@@ -41 +47 @@
         elif data.dqx_data == None or data.dqy_data == None:
             return None
-        return Pinhole2D(data)
-
+        return PySmear2D(data)
+    # This checks for 1D data with smearing info in the data itself (again, fail is likely; no exceptions)
     if  not hasattr(data, "dx") and not hasattr(data, "dxl")\
          and not hasattr(data, "dxw"):
@@ -48 +54 @@
 
     # Look for resolution smearing data
+    # This is the code that checks for SESANS data; it looks for the file loader
+    # TODO: change other sanity checks to check for file loader instead of data structure?
+    _found_sesans = False
+    #if data.dx is not None and data.meta_data['loader']=='SESANS':
+    if data.dx is not None and data.isSesans:
+        #if data.dx[0] > 0.0:
+        if numpy.size(data.dx[data.dx <= 0]) == 0:
+            _found_sesans = True
+        # if data.dx[0] <= 0.0:
+        if numpy.size(data.dx[data.dx <= 0]) > 0:
+            raise ValueError('one or more of your dx values are negative, please check the data file!')
+
+    if _found_sesans == True:
+        #Pre-compute the Hankel matrix (H)
+        qmax, qunits = data.sample.zacceptance
+        SElength = Converter(data._xunit)(data.x, "A")
+        zaccept = Converter(qunits)(qmax, "1/A"),
+        Rmax = 10000000
+        hankel = SesansTransform(data.x, SElength, zaccept, Rmax)
+        # Then return the actual transform, as if it were a smearing function
+        return PySmear(hankel, model, offset=0)
+
     _found_resolution = False
     if data.dx is not None and len(data.dx) == len(data.x):
@@ -89 +117 @@
     Wrapper for pure python sasmodels resolution functions.
     """
-    def __init__(self, resolution, model):
+    def __init__(self, resolution, model, offset=None):
         self.model = model
         self.resolution = resolution
-        self.offset = numpy.searchsorted(self.resolution.q_calc, self.resolution.q[0])
+        if offset is None:
+            offset = numpy.searchsorted(self.resolution.q_calc, self.resolution.q[0])
+        self.offset = offset
 
     def apply(self, iq_in, first_bin=0, last_bin=None):
@@ -142 +172 @@
     width = data.dx if data.dx is not None else 0
     return PySmear(Pinhole1D(q, width), model)
+
+
+class PySmear2D(object):
+    """
+    Q smearing class for SAS 2d pinhole data
+    """
+
+    def __init__(self, data=None, model=None):
+        self.data = data
+        self.model = model
+        self.accuracy = 'Low'
+        self.limit = 3.0
+        self.index = None
+        self.coords = 'polar'
+        self.smearer = True
+
+    def set_accuracy(self, accuracy='Low'):
+        """
+        Set accuracy.
+
+        :param accuracy:  string
+        """
+        self.accuracy = accuracy
+
+    def set_smearer(self, smearer=True):
+        """
+        Set whether or not smearer will be used
+
+        :param smearer: smear object
+
+        """
+        self.smearer = smearer
+
+    def set_data(self, data=None):
+        """
+        Set data.
+
+        :param data: DataLoader.Data_info type
+        """
+        self.data = data
+
+    def set_model(self, model=None):
+        """
+        Set model.
+
+        :param model: sas.models instance
+        """
+        self.model = model
+
+    def set_index(self, index=None):
+        """
+        Set index.
+
+        :param index: 1d arrays
+        """
+        self.index = index
+
+    def get_value(self):
+        """
+        Over sampling of r_nbins times phi_nbins, calculate Gaussian weights,
+        then find smeared intensity
+        """
+        if self.smearer:
+            res = Pinhole2D(data=self.data, index=self.index,
+                            nsigma=3.0, accuracy=self.accuracy,
+                            coords=self.coords)
+            val = self.model.evalDistribution(res.q_calc)
+            return res.apply(val)
+        else:
+            index = self.index if self.index is not None else slice(None)
+            qx_data = self.data.qx_data[index]
+            qy_data = self.data.qy_data[index]
+            q_calc = [qx_data, qy_data]
+            val = self.model.evalDistribution(q_calc)
+            return val
+