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