Releases: diffpy/diffpy.structure
Releases · diffpy/diffpy.structure
Release 1.3.4
Changes since v1.3.3
- Add more unit tests.
- Update tests to use the recent unittest API.
- Avoid trailing blanks when writing Discus files.
- Fix isotropicunit initialization.
- Fix Uisotropy bug in the GeneratorSite class.
Release is also available at https://pypi.python.org/pypi.
Release 1.3.3
Changes since v1.3.2
- Fix U, Uisoequiv, anisotropy handling in Atom init.
- Improve argument processing in the Lattice class.
- Support array arguments in Lattice functions dot, norm, dist, angle.
- Add function Lattice.rnorm.
- Add Structure.copy function for convenient duplication.
Release is also available at https://pypi.python.org/pypi.
Release 1.3.2
Changes since v1.3.1
- Always use SymmetryUtilities.epsilon as coordinates resolution.
- Allow setting coordinates resolution in CIF parser.
- Add
eps
keyword argument to P_cif and getParser. - Add parser keyword arguments to loadStructure.
Release 1.3.1
Changes since v1.3
- Avoid round-off errors on U-matrix diagonal.
- Extract exact version from a tagged git archive.
- Exclude development files from a git-archive package.
- Remove unused imports and unused local variables.
Release is also available at https://pypi.python.org/pypi.
Release 1.3
Use the attached tarball, automatic archives have incomplete version data.
md5sum
aa3b790ff1d2ffdaab2ccd585dc0bcf3 diffpy.Structure-1.3.tar.gz
Changes since v1.2:
- Add Lattice attribute isotropicunit.
- Add method isanisotropic to the Lattice class.
- Optimize Atom ADP matrix and anisotropy.
- Assume anisotropy for sites with _atom_site_aniso_label.
- Avoid roundoffs for Uisoequiv from isotropic matrix.
- Improve handling of version data.
- Format post-release versions as per PEP 440.
- Allow comma separators in the atom records of the discus format.
- Ignore case when processing CIF record names.
- Support PyCifRW 4.1.
- Activate travis testing and coverage reports.
- Add README badges for unit test status and test coverage.
- Ensure Atom.element, label are simple strings in CIF parser.
- Add conda build recipe.
- Remove makeCuboctahedron cell expansion function.
- Add travis tests for OSX and native Linux Python.
- Fix variable name for child signal in anyeye.
- Update installation instructions in README file.
Release 1.2
Use the uploaded tarball, automatic archives have no version data.
Release is also available at https://pypi.python.org/pypi.
md5sum
51aea2daefff8eae65bba594dd616dd3 diffpy.Structure-1.2.tar.gz