Merge pull request #71 from SasView/release_0.9.0

Merge release 0.9.0 branch into master

.github/workflows/test.yml

@@ -14,33 +14,22 @@ jobs:
     strategy:
       matrix:
         os: [macos-latest, ubuntu-latest, windows-latest]
-        python-version: ['3.9', '3.10', '3.11']
+        python-version: ['3.10', '3.11']
       fail-fast: false
 
     steps:
 
     - name: Obtain SasData source from git
-      uses: actions/checkout@v1
+      uses: actions/checkout@v4
 
     - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v1
+      uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
-
-    ### Caching of pip downloads and local wheel builds
-    - name: Get pip cache dir
-      id: pip-cache
-      run: |
-        echo "name={$(pip cache dir)}" >> $GITHUB_OUTPUT
-
-    - name: Obtain pip cache (Linux)
-      uses: actions/cache@v2
-      with:
-        path: ${{ steps.pip-cache.outputs.name }}
-        key: ${{ runner.os }}-pip-${{ matrix.python-version }}-${{ hashFiles('**/test.yml') }}
-        restore-keys: |
-          ${{ runner.os }}-pip-${{ matrix.python-version }}-
-          ${{ runner.os }}-pip-
+        cache: 'pip'
+        cache-dependency-path: |
+          **/ci.yml
+          **/requirements*.txt
 
     ### Installation of build-dependencies
 

LICENSE.TXT

@@ -1,5 +1,4 @@
-Copyright (c) 2009-2022, SasView Developers
-
+Copyright (c) 2009-2024, SasView Developers
 
 All rights reserved.
 

docs/source/rst_prolog

@@ -1,4 +1,5 @@
 .. Set up some substitutions to make life easier...
 
 .. |Ang| unicode:: U+212B
-.. |Ang^-1| replace:: |Ang|\ :sup:`-1`
+.. |Ang^-1| replace:: |Ang|\ :sup:`-1`
+.. |delta| unicode:: U+03B4

docs/source/user/RELEASE.rst

@@ -14,6 +14,43 @@ Features
 ========
 Wheel, egg, and tar.gz files are available on `pypi <https://pypi.org/project/sasdata/>`_.
 
+New in Version 0.9.0
+--------------------
+This is an enhancement release with updates to the unit conversion routines, the ability to load data from URIs, the
+addition of a wedge slicer and other slicer enhancements.
+
+What's Changed
+^^^^^^^^^^^^^^
+
+Feature Enhancements
+____________________
+* Refactor nxsunit by @krzywon in https://github.com/SasView/sasdata/pull/13
+* Enable the sector slicing to allow both sides independantly by @butlerpd in https://github.com/SasView/sasdata/pull/36
+* Load data from URIs by @krzywon in https://github.com/SasView/sasdata/pull/37
+* SasData counterpart to SasView SlicerExtension_1344 by @jack-rooks in https://github.com/SasView/sasdata/pull/61
+
+Bug Fixes
+_________
+* Fixing Issue #40 (but properly this time) by @ehewins in https://github.com/SasView/sasdata/pull/42
+* changed xaxis label for updated SESANS nomenclature from z to delta by @caitwolf in https://github.com/SasView/sasdata/pull/60
+* Fix delta in sesans docs by @caitwolf in https://github.com/SasView/sasdata/pull/65
+
+Documentation Changes
+_____________________
+* Rework readme by @krzywon in https://github.com/SasView/sasdata/pull/15
+* Building sasdata documentation by @krzywon in https://github.com/SasView/sasdata/pull/53
+* Generate Developer Docs by @krzywon in https://github.com/SasView/sasdata/pull/56
+
+Infrastructure Changes
+______________________
+* Remove entry_point from setup.py by @krzywon in https://github.com/SasView/sasdata/pull/2
+* Dependency cleanup by @krzywon in https://github.com/SasView/sasdata/pull/33
+* Move example data to sasdata by @krzywon in https://github.com/SasView/sasdata/pull/49
+* CI updates by @krzywon in https://github.com/SasView/sasdata/pull/50
+* Restrict lxml to versions less than 5.0 by @krzywon in https://github.com/SasView/sasdata/pull/63
+* Update example data by @smk78 in https://github.com/SasView/sasdata/pull/58
+* Fix broken unit test(s) by @krzywon in https://github.com/SasView/sasdata/pull/68
+
 New in Version 0.8.1
 --------------------
 This is a point release to fix a build issue. The `sasdata.data_utils` package was omitted from setup.py causing an

docs/source/user/data/data_formats_help.rst

@@ -114,10 +114,10 @@ between users.
 Following the header are up to 8 space-delimited columns of experimental
 variables of which the first 4 columns are required. In order, these are:
 
-- Spin-echo length (z, in Angstroms)
-- Depolarization (:math:`log(P/P_0)/(lambda^2 * thickness)`, in Angstrom :sup:`-1` cm :sup:`-1`\ )
+- Spin-echo length (:math:`\delta`, in Angstroms)
+- Depolarization (:math:`log(P/P_0)/(\lambda^2 * thickness)`, in Angstrom :sup:`-1` cm :sup:`-1`\ )
 - Depolarization error (also in in Angstrom :sup:`-1` cm :sup:`-1`\ ) (i.e. the measurement error)
-- Spin-echo length error (:math:`\Delta`\ z, in Angstroms) (i.e. the experimental resolution)
+- Spin-echo length error (:math:`\Delta \delta`, in Angstroms) (i.e. the experimental resolution)
 - Neutron wavelength (:math:`\lambda`, in Angstroms)
 - Neutron wavelength error (:math:`\Delta \lambda`, in Angstroms)
 - Normalized polarization (:math:`P/P_0`, unitless)

requirements.txt

@@ -3,7 +3,7 @@ h5py
 lxml < 5.0
 
 # Calculation
-numpy
+numpy==1.*
 
 # Unit testing
 pytest

sasdata/__init__.py

@@ -1,7 +1,7 @@
 import os
 from pathlib import Path
 
-__version__ = "0.8.1"
+__version__ = "0.9.0"
 
 # An importable path to the example data to
 data_path: Path = Path(os.path.join(Path(os.path.dirname(__file__)), 'example_data'))

sasdata/data_util/manipulations.py

@@ -362,19 +362,42 @@ def _avg(self, data2D, maj):
         qy_data = data2D.qy_data[np.isfinite(data2D.data)]
         mask_data = data2D.mask[np.isfinite(data2D.data)]
 
+        # Bin width calculation returns negative values when either axis has no points above 0.
+        self.bin_width = abs(self.bin_width)
+
         # Build array of Q intervals
         if maj == 'x':
             if self.fold:
-                x_min = 0
+                # Set x_max based on which is further from Qx = 0
+                x_max = max(abs(self.x_min),abs(self.x_max))
+                # Set x_min based on which is closer to Qx = 0, but will have different limits depending on whether
+                # x_min and x_max are on the same side of Qx = 0
+                if self.x_min*self.x_max >= 0: # If on same side
+                    x_min = min(abs(self.x_min),abs(self.x_max))
+                else:
+                    x_min = 0
             else:
+                x_max = self.x_max
                 x_min = self.x_min
-            nbins = int(math.ceil((self.x_max - x_min) / self.bin_width))
+            y_max = self.y_max
+            y_min = self.y_min
+            nbins = int(math.ceil((x_max - x_min) / self.bin_width))
         elif maj == 'y':
             if self.fold:
-                y_min = 0
+                # Set y_max based on which is further from Qy = 0
+                y_max = max(abs(self.y_min), abs(self.y_max))
+                # Set y_min based on which is closer to Qy = 0, but will have different limits depending on whether
+                # y_min and y_max are on the same side of Qy = 0
+                if self.y_min * self.y_max >= 0:  # If on same side
+                    y_min = min(abs(self.y_min), abs(self.y_max))
+                else:
+                    y_min = 0
             else:
+                y_max = self.y_max
                 y_min = self.y_min
-            nbins = int(math.ceil((self.y_max - y_min) / self.bin_width))
+            x_max = self.x_max
+            x_min = self.x_min
+            nbins = int(math.ceil((y_max - y_min) / self.bin_width))
         else:
             raise RuntimeError("_Slab._avg: unrecognized axis %s" % str(maj))
 
@@ -392,10 +415,24 @@ def _avg(self, data2D, maj):
             frac_x = 0
             frac_y = 0
             # get ROI
-            if self.x_min <= qx_data[npts] and self.x_max > qx_data[npts]:
-                frac_x = 1
-            if self.y_min <= qy_data[npts] and self.y_max > qy_data[npts]:
-                frac_y = 1
+            if self.fold:
+                # If folded, need to satisfy absolute value of Q, but also make sure we're only pulling
+                # from data inside the box (an issue when the box is not centered on 0)
+                if maj == 'x':
+                    if self.x_min <= qx_data[npts] < self.x_max and x_min <= abs(qx_data[npts]) < x_max:
+                        frac_x = 1
+                    if self.y_min <= qy_data[npts] < self.y_max:
+                        frac_y = 1
+                elif maj == 'y': # The case where maj != 'x' or 'y' was handled earlier
+                    if self.y_min <= qy_data[npts] < self.y_max and y_min <= abs(qy_data[npts]) < y_max:
+                        frac_y = 1
+                    if self.x_min <= qx_data[npts] < self.x_max:
+                        frac_x = 1
+            else:
+                if self.x_min <= qx_data[npts] < self.x_max:
+                    frac_x = 1
+                if self.y_min <= qy_data[npts] < self.y_max:
+                    frac_y = 1
             frac = frac_x * frac_y
 
             if frac == 0:

sasdata/dataloader/readers/sesans_reader.py

@@ -122,7 +122,7 @@ def get_file_contents(self):
         self.current_datainfo.source.wavelength_unit = lam_unit
         self.current_datainfo.source.wavelength = lam
         self.current_datainfo.filename = self.filepath.name
-        self.current_dataset.xaxis(r"\rm{z}", x_unit)
+        self.current_dataset.xaxis(r"\delta", x_unit)
         # Adjust label to ln P/(lam^2 t), remove lam column refs
         self.current_dataset.yaxis(r"\rm{ln(P)/(t \lambda^2)}", y_unit)
         # Store loading process information

sasdata/example_data/magnetic_data/S50_15kG_horizSector_RF+.txt

@@ -0,0 +1,105 @@
+0.0111179	7.27845	0.116389	0.00214635
+0.0122637	6.917	0.124569	0.00215353
+0.0133044	6.67641	0.121596	0.00215824
+0.0142695	6.58246	0.0990066	0.00217468
+0.0153097	6.19897	0.0952062	0.0021891
+0.0164391	5.92162	0.0858106	0.00220081
+0.0175642	5.56036	0.0893136	0.00220978
+0.018671	5.44436	0.0811117	0.00222896
+0.019819	5.28556	0.0859812	0.00224856
+0.0208599	4.74469	0.0813528	0.00226266
+0.0219009	4.72968	0.0814051	0.00227425
+0.0229124	4.31734	0.0711567	0.00229247
+0.0238691	4.15703	0.0659863	0.00231264
+0.0249094	3.83388	0.0622195	0.00233097
+0.0259314	3.54063	0.050994	0.00234616
+0.0270286	3.30922	0.0520788	0.00236343
+0.0281072	3.03682	0.0471857	0.00239002
+0.0292123	2.80118	0.0474372	0.00241299
+0.0302523	2.57104	0.0455598	0.00243152
+0.0312924	2.28601	0.0430925	0.00244784
+0.0323325	2.18288	0.0419826	0.00247655
+0.0333725	1.84627	0.0385636	0.0025014
+0.0344126	1.70983	0.037105	0.00252312
+0.035416	1.60411	0.0318589	0.00254165
+0.0365081	1.38664	0.0309317	0.00257011
+0.0375614	1.21361	0.0269386	0.00259829
+0.0386006	1.07701	0.0256986	0.00262288
+0.0396397	0.96008	0.0242338	0.0026448
+0.0406788	0.872797	0.0233857	0.00267082
+0.041718	0.779462	0.0221108	0.00270137
+0.042757	0.67138	0.0209221	0.00272867
+0.0437961	0.602752	0.0205557	0.00275324
+0.0448351	0.535966	0.0195852	0.00277753
+0.045231	0.573528	0.00747213	0.00376592
+0.0458741	0.498762	0.0187304	0.00281058
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+0.0479674	0.461399	0.0169186	0.00286774
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+0.108587	0.196379	0.00479826	0.00540005
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