Reciprocalspaceship

Latest version: v1.0.3

Safety actively analyzes 682361 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 5 of 6

0.9.4

- 40 Add `rs.read_csv()` to support plain text input sources to `DataSet`
- 42 Update supported Pandas versions
- 44 Add merging example to documentation using PyTorch to assess error models
- 45, 46, 48 Improve French-Wilson scaling algorithm and testing to assess accuracy
- 47 Add `DataSet.centrics` and `DataSet.acentrics` accessors

0.9.3

- 30 Add `rs.algorithms.merge()` for inverse-variance weighted merging of observed intensities
- 35 Add `rs.io.write_ccp4_map()` for writing CCP4 map files from 3D NumPy arrays

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

Page 5 of 6

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.