Changeset 2f17d40 in sasview for src/sas/sascalc/data_util

Timestamp:

May 16, 2017 8:16:20 AM (8 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-4.2.2, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

81b1f4d

Parents:

658dd57 (diff), 8e9536f (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:

Adam Washington <rprospero@…> (05/16/17 08:16:20)

git-committer:

GitHub <noreply@…> (05/16/17 08:16:20)

Message:

Merge pull request #76 from rprospero/master

Update SESANS reader to file format 1.0

Location:

src/sas/sascalc/data_util

Files:

• nxsunit.py (modified) (2 diffs)
• qsmearing.py (modified) (1 diff)
• calcthread.py (modified) (3 diffs)
• formatnum.py (modified) (1 diff)
• registry.py (modified) (1 diff)

src/sas/sascalc/data_util/nxsunit.py

@@ -136 +136 @@
     sld = { '10^-6 Angstrom^-2': 1e-6, 'Angstrom^-2': 1 }
     Q = { 'invA': 1, 'invAng': 1, 'invAngstroms': 1, '1/A': 1, 
-          '10^-3 Angstrom^-1': 1e-3, '1/cm': 1e-8,
+          '10^-3 Angstrom^-1': 1e-3, '1/cm': 1e-8, '1/m': 1e-10,
           'nm^-1': 0.1, '1/nm': 0.1, 'n_m^-1': 0.1 }
 
@@ -195 +195 @@
     _check(1,Converter('n_m^-1')(10,'invA')) # 10 nm^-1 = 1 inv Angstroms
     _check(2,Converter('mm')(2000,'m')) # 2000 mm -> 2 m
+    _check(2.011e10,Converter('1/A')(2.011,"1/m")) # 2.011 1/A -> 2.011 * 10^10 1/m
     _check(0.003,Converter('microseconds')(3,units='ms')) # 3 us -> 0.003 ms
     _check(45,Converter('nanokelvin')(45))  # 45 nK -> 45 nK

src/sas/sascalc/data_util/qsmearing.py

@@ -65 +65 @@
             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
+    if _found_sesans:
+        # Pre-compute the Hankel matrix (H)
         SElength = Converter(data._xunit)(data.x, "A")
-        zaccept = Converter(qunits)(qmax, "1/A"),
+
+        theta_max = Converter("radians")(data.sample.zacceptance)[0]
+        q_max = 2 * np.pi / np.max(data.source.wavelength) * np.sin(theta_max)
+        zaccept = Converter("1/A")(q_max, "1/" + data.source.wavelength_unit),
+
         Rmax = 10000000
-        hankel = SesansTransform(data.x, SElength, zaccept, Rmax)
+        hankel = SesansTransform(data.x, SElength,
+                                 data.source.wavelength,
+                                 zaccept, Rmax)
         # Then return the actual transform, as if it were a smearing function
         return PySmear(hankel, model, offset=0)

src/sas/sascalc/data_util/calcthread.py

@@ -4 +4 @@
 #  \brief Abstract class for defining calculation threads.
 #
+from __future__ import print_function
 
 import thread
@@ -295 +296 @@
     """
     def __init__(self, n=20000):
-        print thread.get_ident()
+        print(thread.get_ident())
         self.starttime = clock()
         self.done = False
@@ -307 +308 @@
         self.work2.queue(n)
         self.work3.queue(n)
-        print "Expect updates from Main every second and from thread every 2.5 seconds"
-        print ""
+        print("Expect updates from Main every second and from thread every 2.5 seconds")
+        print("")
         self.work.ready(.5)
         while not self.done:
             sleep(1)
-            print "Main thread %d at %.2f" % (thread.get_ident(),
-                                              clock() - self.starttime)
+            print("Main thread %d at %.2f" % (thread.get_ident(),
+                                              clock() - self.starttime))
 
     def update(self, i=0):
-        print "Update i=%d from thread %d at %.2f" % (i, thread.get_ident(),
-                                                      clock() - self.starttime)
+        print("Update i=%d from thread %d at %.2f" % (i, thread.get_ident(),
+                                                      clock() - self.starttime))
         self.work.ready(2.5)
 
     def complete(self, total=0.0):
-        print "Complete total=%g from thread %d at %.2f" % (total,
+        print("Complete total=%g from thread %d at %.2f" % (total,
                                                     thread.get_ident(),
-                                                    clock() - self.starttime)
+                                                    clock() - self.starttime))
         self.done = True

src/sas/sascalc/data_util/formatnum.py

@@ -37 +37 @@
 formatter.compact flag.
 """
-from __future__ import division
+from __future__ import division, print_function
 
 import math

src/sas/sascalc/data_util/registry.py

@@ -6 +6 @@
 and registers the built-in file extensions.
 """
+from __future__ import print_function
 
 import os.path