Reciprocalspaceship

Latest version: v1.0.1

Safety actively analyzes 630523 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 5 of 6

0.9.2

- 20 Add `anomalous` flag to `DataSet.hkl_to_asu()`
- 29 Fix handling of centric reflections in `DataSet.hkl_to_asu()`
- 23 Rename `DataSet._cache_index_dtypes` to `DataSet._index_dtypes` and sensibly initialize values
- Fix bug in `range_indexed()` decorator
- 28 Improve handling of unmerged datasets and centrics in `DataSet.stack_anomalous()` and `DataSet.unstack_anomalous()`

0.9.1

- 17 Bug fix -- add decorators to facilitate inplace methods and enforcing consistent views of DataSet for methods
- 19 Improve numerical stability for French-Wilson scaling
- 18 Add type-checking for DataSet.cell and DataSet.spacegroup setter methods

0.9.0

- Adds `DataSet.expand_to_p1()`
- Adds `DataSet.expand_anomalous()`
- 14 Adds `DataSet.to_reciprocalgrid()` to organize `DataSet` column in a 3D NumPy array
- Add `DataSet.to_structurefactor()` and `DataSet.from_structurefactor()` to facilitate converting to/from complex datatypes
- 11 Add `DataSet.compute_multiplicity()` to avoid direct calls to. `rs.utils`
- 10 Add `DataSet.label_absences()` for labeling systematic absences

0.8.9

- Bug fix to `rs.utils.bin_by_percentile()` in order to support data with repeated values -- enables `DataSet.assign_resolution_bins()` for unmerged data

0.8.8

- Add utility method for computing phase restrictions
- Bug fixes to improve handling of the `MultiIndex` in `DataSet` built-in methods (6)
- Add append/concat methods to `DataSet` and `rs` that preserve metadata/attributes
- Argument to account for centering in epsilon calculation (7)
- Improve performance of `hkl_is_absent()` and `is_centric()` through calls to `gemmi` vectorized functions
- Add methods for binning reflections (e.g. by resolution: 9)
- Most importantly: `rs` now has a logo... 1/:rocket:

0.8.6

Bug Fix:
- Fix output of rs.mtzdump commandline tool

Page 5 of 6

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.