diff --git a/CHANGELOG.rst b/CHANGELOG.rst index b62a37748..6b33833bd 100644 --- a/CHANGELOG.rst +++ b/CHANGELOG.rst @@ -1,3 +1,39 @@ +dxtbx 3.20.0 (2024-06-19) +========================= + +Features +-------- + +- The template handling mechanism is extended so that a template with a + single ``#`` is expanded to match non-zero padded sequential numbers. + For example, ``image_#.cbf`` will match ``image_1.cbf``, ``image_2.cbf``, + ..., ``image_10.cbf`` and so on. + + Using a single ``#`` to match up to 10 images _within_ a zero-padded + sequence continues to work as before. For example, + ``dials.import template=insulin_1_01#.img`` will match the files + ``insulin_1_010.img``, ``insulin_1_011.img``, ..., ``insulin_1_019.img``, + and no others. (`#705 `_) +- Allows stepping through XTC streams at specific indices provided by a text file. (`#709 `_) +- Compatibility with Python 3.12. (`#725 `_) +- Add ``dxtbx.any2nexus`` program, to convert any file dxtbx can read to a NeXus file. (`#735 `_) + + +Bugfixes +-------- + +- ``FormatROD``: set the beam probe to "electron" for 3D ED experiments. (`#728 `_) +- Raise an error if ``geometry.goniometer.axis=`` is set with a multi-axis goniometer. In that case ``geometry.goniometer.axes=`` must be set instead. (`#730 `_) +- Update goniometer for `FormatISISSXD` to allow for different ways the goniometer angle can be stored. (`#731 `_) +- Fix `Scan.get_property` key type. (`#734 `_) + + +Misc +---- + +- `#702 `_, `#721 `_, `#724 `_, `#726 `_, `#727 `_, `#732 `_, `#733 `_, `#738 `_ + + DIALS 3.19.1 (2024-05-23) ========================= diff --git a/newsfragments/702.misc b/newsfragments/702.misc deleted file mode 100644 index 43ad5a026..000000000 --- a/newsfragments/702.misc +++ /dev/null @@ -1 +0,0 @@ -Add `Experiment.get_type()` to replace `Experiment.is_still()/Experiment.is_sequence()` diff --git a/newsfragments/705.feature b/newsfragments/705.feature deleted file mode 100644 index 562128534..000000000 --- a/newsfragments/705.feature +++ /dev/null @@ -1,10 +0,0 @@ -The template handling mechanism is extended so that a template with a -single ``#`` is expanded to match non-zero padded sequential numbers. -For example, ``image_#.cbf`` will match ``image_1.cbf``, ``image_2.cbf``, -..., ``image_10.cbf`` and so on. - -Using a single ``#`` to match up to 10 images _within_ a zero-padded -sequence continues to work as before. For example, -``dials.import template=insulin_1_01#.img`` will match the files -``insulin_1_010.img``, ``insulin_1_011.img``, ..., ``insulin_1_019.img``, -and no others. diff --git a/newsfragments/709.feature b/newsfragments/709.feature deleted file mode 100644 index f3ecaa677..000000000 --- a/newsfragments/709.feature +++ /dev/null @@ -1 +0,0 @@ -Allows stepping through XTC streams at specific indices provided by a text file diff --git a/newsfragments/721.misc b/newsfragments/721.misc deleted file mode 100644 index ba02dffef..000000000 --- a/newsfragments/721.misc +++ /dev/null @@ -1 +0,0 @@ -Allow time of flight experiments to share models. diff --git a/newsfragments/724.misc b/newsfragments/724.misc deleted file mode 100644 index a51fc47b2..000000000 --- a/newsfragments/724.misc +++ /dev/null @@ -1 +0,0 @@ -Remove dependency to dials.flex from FormatSMVTimePix. diff --git a/newsfragments/725.feature b/newsfragments/725.feature deleted file mode 100644 index 2b04aeb4a..000000000 --- a/newsfragments/725.feature +++ /dev/null @@ -1 +0,0 @@ -Compatility with Python 3.12. diff --git a/newsfragments/726.misc b/newsfragments/726.misc deleted file mode 100644 index d02b0da1d..000000000 --- a/newsfragments/726.misc +++ /dev/null @@ -1 +0,0 @@ -Remove XPASS on imageset slice consistency test. diff --git a/newsfragments/727.misc b/newsfragments/727.misc deleted file mode 100644 index 710381369..000000000 --- a/newsfragments/727.misc +++ /dev/null @@ -1 +0,0 @@ -Miscellaneous other Python 3.12 changes. diff --git a/newsfragments/728.bugfix b/newsfragments/728.bugfix deleted file mode 100644 index 58672d116..000000000 --- a/newsfragments/728.bugfix +++ /dev/null @@ -1 +0,0 @@ -``FormatROD``: set the beam probe to "electron" for 3D ED experiments. diff --git a/newsfragments/730.bugfix b/newsfragments/730.bugfix deleted file mode 100644 index 2b533db3c..000000000 --- a/newsfragments/730.bugfix +++ /dev/null @@ -1 +0,0 @@ -Raise an error if ``geometry.goniometer.axis=`` is set with a multi-axis goniometer. In that case ``geometry.goniometer.axes=`` must be set instead. diff --git a/newsfragments/731.bugfix b/newsfragments/731.bugfix deleted file mode 100644 index b0ba1466e..000000000 --- a/newsfragments/731.bugfix +++ /dev/null @@ -1 +0,0 @@ -Update goniometer for `FormatISISSXD` to allow for different ways the goniometer angle can be stored. diff --git a/newsfragments/732.misc b/newsfragments/732.misc deleted file mode 100644 index 6bd2771ef..000000000 --- a/newsfragments/732.misc +++ /dev/null @@ -1 +0,0 @@ -``FormatBrukerED1``: the gain is not well-known, so reset to 1.0 and allow the user to override at import. diff --git a/newsfragments/733.misc b/newsfragments/733.misc deleted file mode 100644 index bb62d39f2..000000000 --- a/newsfragments/733.misc +++ /dev/null @@ -1 +0,0 @@ -Add Laue experiment type. diff --git a/newsfragments/734.bugfix b/newsfragments/734.bugfix deleted file mode 100644 index eb02600ff..000000000 --- a/newsfragments/734.bugfix +++ /dev/null @@ -1 +0,0 @@ -Fix `Scan.get_property` key type. diff --git a/newsfragments/735.feature b/newsfragments/735.feature deleted file mode 100644 index 5d8cad685..000000000 --- a/newsfragments/735.feature +++ /dev/null @@ -1 +0,0 @@ -Add dxtbx.any2nexus, program to convert any file dxtbx can read to a NeXus file. diff --git a/newsfragments/738.misc b/newsfragments/738.misc deleted file mode 100644 index b9cf26fa1..000000000 --- a/newsfragments/738.misc +++ /dev/null @@ -1 +0,0 @@ -Switch linting/formatting to ruff.