Diffpy.srreal

Latest version: v1.3.0

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1.3.0

Main differences from version 1.2.

Added

- Support for Python 3.7, 3.6, 3.5 in addition to 2.7.
- Validation of compiler options from `python-config`.
- Make scons scripts compatible with Python 3 and Python 2.
- `ConstantPeakWidth` attributes `uisowidth`, `bisowidth` to ease
PDF simulation with uniform isotropic atom displacements.

Changed

- Require libdiffpy 1.4 or later.
- Build Anaconda package with Anaconda C++ compiler.
- Allow language standard c++11.
- Pickle format for `PDFCalculator`, `DebyePDFCalculator`,
`OverlapCalculator`, `PeakWidthModel`, `PeakProfile`, `PDFEnvelope`,
`PDFBaseline`, and `ScatteringFactorTable` objects.

Deprecated

- Variable `__gitsha__` in the `version` module renamed to `__git_commit__`.
- `libdiffpy_version_info` attribute `git_sha` renamed to `git_commit`.

Removed

- Unused method `BVParam.__hash__`.
- Disable pickling of `BasePairQuantity` as it is in effect abstract.
- Pickling of Python-added attributes to exported C++ classes.
- Function `get_libdiffpy_version_info` from the `version` module.

Fixed

- Return value conversion of `CrystalStructureAdapter` methods
`expandLatticeAtom` and `getEquivalentAtoms` methods.
Make them return a `list` of `Atom` objects.
- Name suffix resolution of `boost_python` shared library.

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