Merge branch 'main' into 267-versioning

.github/workflows/conda_unit_test.yml

@@ -16,35 +16,35 @@ defaults:
 
 jobs:
 
-  lint:
-    name: Code style
-    runs-on: ubuntu-latest
+  # lint:
+  #   name: Code style
+  #   runs-on: ubuntu-latest
 
-    steps:
-      - uses: actions/checkout@v4
+  #   steps:
+  #     - uses: actions/checkout@v4
 
-      - uses: actions/setup-python@v4
-        with:
-          python-version: '3.11'
+  #     - uses: actions/setup-python@v4
+  #       with:
+  #         python-version: '3.11'
 
-      - name: Install Dependencies
-        run: |
-          python -m pip install --upgrade pip
-          pip install flake8
+  #     - name: Install Dependencies
+  #       run: |
+  #         python -m pip install --upgrade pip
+  #         pip install flake8
 
-      - name: Run flake8
-        run: |
-          flake8
+  #     - name: Run flake8
+  #       run: |
+  #         flake8
 
-      - name: Run black
-        uses: rickstaa/action-black@v1
-        with:
-          black_args: ". --check"
+  #     - name: Run black
+  #       uses: rickstaa/action-black@v1
+  #       with:
+  #         black_args: ". --check"
 
-  build:
+  testing:
 
     runs-on: ubuntu-latest
-    needs: lint
+    # needs: lint
     strategy:
       matrix:
         python-version:

.github/workflows/pre-commit.yml

@@ -0,0 +1,21 @@
+name: pre-commit
+
+# from: https://github.com/NSLS-II/scientific-python-cookiecutter/ ... /.github/workflows/pre-commit.yml
+
+on:
+  pull_request:
+  push:
+  workflow_dispatch:
+
+jobs:
+  pre-commit:
+    # pull requests are a duplicate of a branch push if within the same repo.
+    if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name != github.repository
+
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - uses: actions/setup-python@v4
+      - uses: pre-commit/[email protected]
+        with:
+          extra_args: --all-files

.pre-commit-config.yaml

@@ -0,0 +1,37 @@
+# See https://pre-commit.com for more information
+# See https://pre-commit.com/hooks.html for more hooks
+
+ci:
+  default_language_version: python3.11
+
+repos:
+-   repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v4.3.0
+    hooks:
+    - id: check-added-large-files
+    - id: check-ast
+    - id: check-case-conflict
+    - id: check-merge-conflict
+    - id: check-symlinks
+    - id: check-yaml
+    - id: check-json
+    - id: debug-statements
+    - id: check-executables-have-shebangs
+    - id: mixed-line-ending
+    # - id: end-of-file-fixer
+    # - id: trailing-whitespace
+
+# -   repo: https://github.com/pycqa/flake8
+#     rev: 4.0.1
+#     hooks:
+#     -   id: flake8
+
+# -   repo: https://github.com/timothycrosley/isort
+#     rev: 5.12.0
+#     hooks:
+#     -   id: isort
+
+# -   repo: https://github.com/psf/black
+#     rev: 22.8.0
+#     hooks:
+#     -   id: black

RELEASE_NOTES.rst

@@ -11,11 +11,21 @@ Release History
     Deprecations
     Contributors
 
-v1.1 (expected 2024)
+v1.2 (expected 2024)
 ======================================
 
 User-requested changes
 
+v1.1 (expected 2023-12)
+======================================
+
+Add new geometries from upstream *libhkl*.
+
+Fixes
+-----
+
+* ``util.restore_reflections()`` use renamed motor axes if so defined.
+
 Maintenance
 -----------
 

docs/source/geometry_tables.rst

@@ -16,23 +16,27 @@ the number of axes (circles) and the names of each.  This table is
 sorted first by the number of circles, and then the geometry name (as
 used here in *hklpy*).
 
-======== ==================================================== =======================================================================
-#circles geometry                                             real_axes
-======== ==================================================== =======================================================================
-4        :ref:`E4CH <E4CH_table>`                             ``omega``, ``chi``, ``phi``, ``tth``
-4        :ref:`E4CV <E4CV_table>`                             ``omega``, ``chi``, ``phi``, ``tth``
-4        :ref:`K4CV <K4CV_table>`                             ``komega``, ``kappa``, ``kphi``, ``tth``
-4        :ref:`SoleilMars <SoleilMars_table>`                 ``omega``, ``chi``, ``phi``, ``tth``
-4        :ref:`SoleilSixsMed1p2 <SoleilSixsMed1p2_table>`     ``pitch``, ``mu``, ``gamma``, ``delta``
-4        :ref:`Zaxis <Zaxis_table>`                           ``mu``, ``omega``, ``delta``, ``gamma``
-5        :ref:`SoleilSixsMed2p2 <SoleilSixsMed2p2_table>`     ``beta``, ``mu``, ``omega``, ``gamma``, ``delta``
-6        :ref:`E6C <E6C_table>`                               ``mu``, ``omega``, ``chi``, ``phi``, ``gamma``, ``delta``
-6        :ref:`K6C <K6C_table>`                               ``mu``, ``komega``, ``kappa``, ``kphi``, ``gamma``, ``delta``
-6        :ref:`Petra3_p09_eh2 <Petra3_p09_eh2_table>`         ``mu``, ``omega``, ``chi``, ``phi``, ``delta``, ``gamma``
-6        :ref:`SoleilSiriusKappa <SoleilSiriusKappa_table>`   ``mu``, ``komega``, ``kappa``, ``kphi``, ``delta``, ``gamma``
-6        :ref:`SoleilSiriusTurret <SoleilSiriusTurret_table>` ``basepitch``, ``thetah``, ``alphay``, ``alphax``, ``delta``, ``gamma``
-6        :ref:`SoleilSixsMed2p3 <SoleilSixsMed2p3_table>`     ``beta``, ``mu``, ``omega``, ``gamma``, ``delta``, ``eta_a``
-======== ==================================================== =======================================================================
+======== ============================================================== ========================================================================
+#circles geometry                                                       real_axes
+======== ============================================================== ========================================================================
+4        :ref:`E4CH <E4CH_table>`                                       ``omega``, ``chi``, ``phi``, ``tth``
+4        :ref:`E4CV <E4CV_table>`                                       ``omega``, ``chi``, ``phi``, ``tth``
+4        :ref:`K4CV <K4CV_table>`                                       ``komega``, ``kappa``, ``kphi``, ``tth``
+4        :ref:`Petra3_p23_4c <Petra3_p23_4c_table>`                     ``omega_t``, ``mu``, ``gamma``, ``delta``
+4        :ref:`SoleilMars <SoleilMars_table>`                           ``omega``, ``chi``, ``phi``, ``tth``
+4        :ref:`SoleilSixsMed1p2 <SoleilSixsMed1p2_table>`               ``pitch``, ``mu``, ``gamma``, ``delta``
+4        :ref:`Zaxis <Zaxis_table>`                                     ``mu``, ``omega``, ``delta``, ``gamma``
+5        :ref:`SoleilSixsMed2p2 <SoleilSixsMed2p2_table>`               ``beta``, ``mu``, ``omega``, ``gamma``, ``delta``
+5        :ref:`SoleilSixsMed2p3v2 <SoleilSixsMed2p3v2_table>`           ``mu``, ``omega``, ``gamma``, ``delta``, ``eta_a``
+6        :ref:`E6C <E6C_table>`                                         ``mu``, ``omega``, ``chi``, ``phi``, ``gamma``, ``delta``
+6        :ref:`K6C <K6C_table>`                                         ``mu``, ``komega``, ``kappa``, ``kphi``, ``gamma``, ``delta``
+6        :ref:`Petra3_p09_eh2 <Petra3_p09_eh2_table>`                   ``mu``, ``omega``, ``chi``, ``phi``, ``delta``, ``gamma``
+6        :ref:`SoleilNanoscopiumRobot <SoleilNanoscopiumRobot_table>`   ``rz``, ``rs``, ``rx``, ``r``, ``delta``, ``gamma``
+6        :ref:`SoleilSiriusKappa <SoleilSiriusKappa_table>`             ``mu``, ``komega``, ``kappa``, ``kphi``, ``delta``, ``gamma``
+6        :ref:`SoleilSiriusTurret <SoleilSiriusTurret_table>`           ``basepitch``, ``thetah``, ``alphay``, ``alphax``, ``delta``, ``gamma``
+6        :ref:`SoleilSixsMed2p3 <SoleilSixsMed2p3_table>`               ``beta``, ``mu``, ``omega``, ``gamma``, ``delta``, ``eta_a``
+7        :ref:`Petra3_p23_6c <Petra3_p23_6c_table>`                     ``omega_t``, ``mu``, ``omega``, ``chi``, ``phi``, ``gamma``, ``delta``
+======== ============================================================== ========================================================================
 
 Tables for each geometry
 ------------------------
@@ -206,6 +210,63 @@ hkl    ``h``, ``k``, ``l`` lifting detector chi
 hkl    ``h``, ``k``, ``l`` lifting detector phi
 ====== =================== =================================== ==========
 
+.. index:: Petra3_p23_4c, geometry; Petra3_p23_4c
+
+.. _Petra3_p23_4c_table:
+
+Geometry: `Petra3_p23_4c`
+++++++++++++++++++++++++++
+
+real axes: ``omega_t``, ``mu``, ``gamma``, ``delta``
+
+=========== =========================== =================================== ==========
+engine      pseudo_axes                 mode                                parameters
+=========== =========================== =================================== ==========
+hkl         ``h``, ``k``, ``l``         bisector vertical
+hkl         ``h``, ``k``, ``l``         lifting detector omega_t
+hkl         ``h``, ``k``, ``l``         lifting detector mu
+hkl         ``h``, ``k``, ``l``         bisector horizontal
+hkl         ``h``, ``k``, ``l``         psi constant                        h2, k2, l2, psi
+q2          ``q``, ``alpha``            q2
+qper_qpar   ``qper``, ``qpar``          qper_qpar                           x, y, z
+tth2        ``tth``, ``alpha``          tth2
+incidence   ``incidence``, ``azimuth``  incidence                           x, y, z
+emergence   ``emergence``, ``azimuth``  emergence                           x, y, z
+=========== =========================== =================================== ==========
+
+.. index:: Petra3_p23_6c, geometry; Petra3_p23_6c
+
+.. _Petra3_p23_6c_table:
+
+Geometry: `Petra3_p23_6c`
+++++++++++++++++++++++++++
+
+real axes: ``omega_t``, ``mu``, ``omega``, ``chi``, ``phi``, ``gamma``, ``delta``
+
+=========== =========================== =================================== ==========
+engine      pseudo_axes                 mode                                parameters
+=========== =========================== =================================== ==========
+hkl         ``h``, ``k``, ``l``         bisector vertical
+hkl         ``h``, ``k``, ``l``         constant omega vertical
+hkl         ``h``, ``k``, ``l``         constant chi vertical
+hkl         ``h``, ``k``, ``l``         constant phi vertical
+hkl         ``h``, ``k``, ``l``         lifting detector phi
+hkl         ``h``, ``k``, ``l``         lifting detector omega
+hkl         ``h``, ``k``, ``l``         lifting detector mu
+hkl         ``h``, ``k``, ``l``         double diffraction vertical         h2, k2, l2
+hkl         ``h``, ``k``, ``l``         bisector horizontal
+hkl         ``h``, ``k``, ``l``         double diffraction horizontal       h2, k2, l2
+hkl         ``h``, ``k``, ``l``         psi constant vertical               h2, k2, l2, psi
+hkl         ``h``, ``k``, ``l``         psi constant horizontal             h2, k2, l2, psi
+hkl         ``h``, ``k``, ``l``         constant mu horizontal
+psi         ``psi``                     psi vertical                        h2, k2, l2
+q2          ``q``, ``alpha``            q2
+qper_qpar   ``qper``, ``qpar``          qper_qpar                           x, y, z
+tth2        ``tth``, ``alpha``          tth2
+incidence   ``incidence``, ``azimuth``  incidence                           x, y, z
+emergence   ``emergence``, ``azimuth``  emergence                           x, y, z
+=========== =========================== =================================== ==========
+
 .. index:: SoleilMars, geometry; SoleilMars
 
 .. _SoleilMars_table:
@@ -229,6 +290,23 @@ q         ``q``                      q
 incidence ``incidence``, ``azimuth`` incidence          ``x``, ``y``, ``z``
 ========= ========================== ================== ===============================
 
+.. index:: SoleilNanoscopiumRobot, geometry; SoleilNanoscopiumRobot
+
+.. _SoleilNanoscopiumRobot_table:
+
+Geometry: `SoleilNanoscopiumRobot`
+++++++++++++++++++++++++++++++++++
+
+real axes: ``rz``, ``rs``, ``rx``, ``r``, ``delta``, ``gamma``
+
+========= ========================== =================== ==========
+engine    pseudo_axes                mode                parameters
+========= ========================== =================== ==========
+hkl       ``h``, ``k``, ``l``        lifting detector rz
+hkl       ``h``, ``k``, ``l``        lifting detector rs
+hkl       ``h``, ``k``, ``l``        lifting detector rx
+========= ========================== =================== ==========
+
 .. index:: SoleilSiriusKappa, geometry; SoleilSiriusKappa
 
 .. _SoleilSiriusKappa_table:
@@ -336,6 +414,34 @@ Geometry: `SoleilSixsMed2p3`
 
 real axes: ``beta``, ``mu``, ``omega``, ``gamma``, ``delta``, ``eta_a``
 
+.. note:: Compare with :ref:`SoleilSixsMed2p3v2_table` which does not have ``beta``.
+
+========= ========================== =============== ==================================
+engine    pseudo_axes                mode            parameters
+========= ========================== =============== ==================================
+hkl       ``h``, ``k``, ``l``        mu_fixed
+hkl       ``h``, ``k``, ``l``        gamma_fixed
+hkl       ``h``, ``k``, ``l``        emergence_fixed ``x``, ``y``, ``z``, ``emergence``
+q2        ``q``, ``alpha``           q2
+qper_qpar ``qper``, ``qpar``         qper_qpar       ``x``, ``y``, ``z``
+tth2      ``tth``, ``alpha``         tth2
+incidence ``incidence``, ``azimuth`` incidence       ``x``, ``y``, ``z``
+emergence ``emergence``, ``azimuth`` emergence       ``x``, ``y``, ``z``
+========= ========================== =============== ==================================
+
+.. index:: SoleilSixsMed2p3v2, geometry; SoleilSixsMed2p3v2
+
+.. _SoleilSixsMed2p3v2_table:
+
+Geometry: `SoleilSixsMed2p3v2`
+++++++++++++++++++++++++++++++
+
+real axes: ``mu``, ``omega``, ``gamma``, ``delta``, ``eta_a``
+
+global parameter: `eta_a_rotation`, rotation of the detector (zaxis-like)
+
+.. note:: Compare with :ref:`SoleilSixsMed2p3_table` which has an additional ``beta`` rotation.
+
 ========= ========================== =============== ==================================
 engine    pseudo_axes                mode            parameters
 ========= ========================== =============== ==================================

hkl/__init__.py

@@ -39,17 +39,21 @@
     K4CV,
     K6C,
     Petra3_p09_eh2,
+    Petra3_p23_4c,
+    Petra3_p23_6c,
     SimMixin,
     SimulatedE4CV,
     SimulatedE6C,
     SimulatedK4CV,
     SimulatedK6C,
     SoleilMars,
+    SoleilNanoscopiumRobot,
     SoleilSiriusKappa,
     SoleilSiriusTurret,
     SoleilSixsMed1p2,
     SoleilSixsMed2p2,
     SoleilSixsMed2p3,
+    SoleilSixsMed2p3v2,
     Zaxis,
 )