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DIALS 3.15.2 #185
DIALS 3.15.2 #185
Commits on Jun 13, 2023
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Commits on Jun 16, 2023
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Remove dxtbx procrunner dependency (cctbx#640)
There is no longer any reason to use procrunner in place of built-in subprocess
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Commits on Jun 27, 2023
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Fix for nxmx import overwritten by local variable (cctbx#641)
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Commits on Jun 29, 2023
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Use importlib instead of pkg_resources (cctbx#643)
pkg_resources is now deprecated, as importlib has covered most use-cases since python 3.8. This removes the code causing warnings in downstream tests. Also suppress numpy 'product' warnings when running pytest.
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Commits on Jun 30, 2023
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Drop Python 3.8 support (cctbx#642)
Upstream dependencies (e.g. numpy, scipy) have now dropped Python 3.8 support in latest releases. Add Python 3.11 support. See also https://dials.github.io/kb/proposals/dc3 --------- Co-authored-by: Nicholas Devenish <ndevenish@gmail.com>
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Commits on Jul 25, 2023
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Easier override of panel geometry (cctbx#644)
When setting panels by PHIL, merge multiple definitions first by id. This fixes cctbx#299.
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Flumpy: Don't allow converting 1D vectors to vec2/3 (cctbx#648)
Previously, a size (3,) array would have erroneously converted to a 0x3 length vec3. This is now explicitly forbidden; you must pass at least a (0, 3) multidimensional array. Fixes cctbx#439.
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Commits on Jul 26, 2023
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Partial support for Rigaku Oxford Diffraction format images. --------- Co-authored-by: Takanori Nakane <nakane.t@gmail.com> Co-authored-by: Nicholas Devenish <ndevenish@gmail.com>
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Check Registry against refl/expt files (cctbx#650)
This was previously done implicitly, but only when dials_regression was present. This makes the test explicit, and works with dials-data (so that it will work on e.g. CI with restricted access to test cases).
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Make Imageset slices consistently index from 0
Without this, slices sometimes needed to be indexed by their original image index, even inside the slice. The previous workaround in 67aab2 (cctbx#485) for negative offset was reacting to the erroneous behaviour introduced by including batch offsets in imagesequence slicing.
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Commits on Jul 27, 2023
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MNT: Update CMake modules path relative to script
Without this, dxtbx did not work as a subdirectory in a larger CMakeLists project.
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Commits on Jul 31, 2023
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Fixes for EMBL beamlines at PETRA (cctbx#626)
The E-32-0017 Eiger moved to P13 on 2021-5-22, where the goniometer axis no longer needs overriding. Check for that date in the MiniCBF, and check for the serial matching the date range. Co-authored-by: Christian Becke <christian.becke@fu-berlin.de> Co-authored-by: Nicholas Devenish <ndevenish@gmail.com>
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Commits on Aug 2, 2023
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Add polychromatic beam (cctbx#621)
Add new Beam class "PolychromaticBeam" for polychromatic/multi-wavelength/wide bandpass experiments. --------- Co-authored-by: DiamondLightSource-build-server <DiamondLightSource-build-server@users.noreply.github.com> Co-authored-by: Nicholas Devenish <ndevenish@gmail.com>
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Commits on Aug 3, 2023
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FormatROD - Multi-axis goniometer, faster decompression (cctbx#653)
Co-authored-by: Takanori Nakane <nakane.t@gmail.com>
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Commits on Aug 4, 2023
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Add probe type to the Beam model (cctbx#647)
At the moment this just adds the additional datum and allows serialisation etc. Old experiment files where this is not set are interpreted as having Probe.xray. Some electron diffraction format classes are updated here to record Probe.electron. Co-authored-by: davidmcdonagh <davidnmcdonagh@gmail.com>
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Commits on Aug 8, 2023
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Fix bit depth for Eiger / NXmx for i19-2 (cctbx#652)
Fix bit depth for Eiger / NXmx for i19-2 Add bit depth check from image metadata as implemented on other Diamond NXmx installations. Fixes dials/dials#2473
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Commits on Aug 10, 2023
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Commits on Aug 11, 2023
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NXmx: handle multidimensional arrays (cctbx#612)
Data in NeXus can be 3 or 4 dimensional. 3D: Nimages by slow by fast 4D: Nimages by Nmodules by slow fast Slice image_size and reshape the raw_data in these cases. Co-authored-by: Richard Gildea <rjgildea@users.noreply.github.com>
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Commits on Aug 13, 2023
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Commits on Aug 14, 2023
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towncrier --name=dxtbx --version='3.16.0'
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Ignore trusted-range in dxtbx.average test
This behaviour has changed in cctbx, however has not been backported to the release.
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