|
1 | 1 | # Release notes
|
2 | 2 |
|
| 3 | +## Version 2024.2 |
| 4 | + |
| 5 | +### Changes |
| 6 | + |
| 7 | +- DiffractionDataSingleCrystal: add SetHklIobs, SetIobs, SetSigma, GetSigma, |
| 8 | + GetChi2, FitScaleFactorForRw and FitScaleFactorForR |
| 9 | + (https://github.com/diffpy/pyobjcryst/issues/42) |
| 10 | +- Add a single crystal data notebook example |
| 11 | +- Online documentation notebooks now include the plots |
| 12 | + (https://pyobjcryst.readthedocs.io/en/latest/examples) |
| 13 | + |
| 14 | +### Fixes |
| 15 | + |
| 16 | +- From libobjcryst: update the ScatteringComponentList when a Scatterer is removed |
| 17 | + from a Crystal (https://github.com/diffpy/pyobjcryst/issues/41) |
| 18 | + |
3 | 19 | ## Version 2024.1
|
4 | 20 |
|
5 | 21 | ### Changes
|
|
23 | 39 |
|
24 | 40 | ### Changes
|
25 | 41 |
|
26 |
| -- Raise an exception if alpha, beta or gamma are not within ]0;pi[ when |
| 42 | +- Raise an exception if alpha, beta or gamma are not within ]0;pi[ when |
27 | 43 | changing lattice angles
|
28 | 44 | - Add UnitCell.ChangeSpaceGroup()
|
29 | 45 |
|
|
40 | 56 |
|
41 | 57 | ### Changes
|
42 | 58 |
|
43 |
| -- the list of HKL reflections will now be automatically be re-generated |
| 59 | +- the list of HKL reflections will now be automatically be re-generated |
44 | 60 | for a PowderPatternDiffraction when the Crystal's spacegroup changes,
|
45 | 61 | or the lattice parameters are modified by more than 0.5%
|
46 | 62 |
|
|
62 | 78 |
|
63 | 79 | ### Changes
|
64 | 80 |
|
65 |
| -- Add correct wrapping for C++-instantiated objects available through global |
66 |
| - registries, e.g. when loading an XML file. The objects are decorated with |
| 81 | +- Add correct wrapping for C++-instantiated objects available through global |
| 82 | + registries, e.g. when loading an XML file. The objects are decorated with |
67 | 83 | the python functions when accessed through the global registries GetObj()
|
68 | 84 | - Moved global object registries to pyobjcryst.globals
|
69 | 85 | - Update documentation
|
70 | 86 |
|
71 | 87 | ### Fixed
|
72 | 88 |
|
73 |
| -- Fix access to PRISM_TETRAGONAL_DICAP, PRISM_TRIGONAL, |
| 89 | +- Fix access to PRISM_TETRAGONAL_DICAP, PRISM_TRIGONAL, |
74 | 90 | ICOSAHEDRON and TRIANGLE_PLANE.
|
75 |
| -- Fix powder pattern plot issues (NaN and update of hkl text with recent |
| 91 | +- Fix powder pattern plot issues (NaN and update of hkl text with recent |
76 | 92 | matplotlib versions)
|
77 | 93 |
|
78 | 94 | ## Version 2.2.1 -- 2021-11-28
|
79 | 95 |
|
80 | 96 | - Add quantitative phase analysis with PowderPattern.qpa(), including
|
81 | 97 | an example notebook using the QPA Round-Robin data.
|
82 |
| -- Correct import of urllib.request.urllopen() when loading CIF or z-matrix |
| 98 | +- Correct import of urllib.request.urllopen() when loading CIF or z-matrix |
83 | 99 | files from http urls.
|
84 | 100 | - Fix blank line javascript output when updating the Crystal 3D view
|
85 | 101 | - Add RefinableObj.xml() to directly get the XMLOutput() as a string
|
|
0 commit comments