Tags: diffpy/diffpy.srreal
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Release 1.2 Changes since v1.1 * Fix issues reported by pyflakes. * Add missing overrides to DerivedStructureAdapter. * Check site index in StructureAdapter methods. * Fix extension module initialization for any import order. * Fix data conversion from non-contiguous NumPy array. This fixes invalid results from of fftgtof, fftftog. * Support array argument to PDFEnvelope, PDFBaseline. * Expose the new class registry methods, _deregisterType, _aliasType, isRegisteredType, and getAliasedTypes. * Deregister any Python-extended prototypes on exit. * Wrap custom valence functions in BVParametersTable. * Make project tarball reproducible on Mac OS X. * Add debug.py script for debugging unit tests. * Simplify redefinition of user envelopes or baselines. * Expose new evaluator type "CHECK". * Make the "OPTIMIZED" evaluator the default one. * Use the "BASIC" evaluator for parallel calculations. * Update to NumPy C-API 1.7. * Change argument order for `SFAverage.fromComposition`, `fromStructure`, and allow string type name as the `sftb` argument. * Add scons variable "tool" for choosing the compiler. * Drop support for Python 2.6. * Upgrade for Python 3.4, 3.5, 3.6 and stay compatible with 2.7. * Add travis test with Python 3 and homebrew.
Release 1.1.2 Changes since v1.1.1 * Raise explicit IndexError for invalid atom indices. * Fix warning on signed-unsigned comparison. * Require libdiffpy 1.3.3 or later. * Wrap the new evaluator type "CHECK". * Use the OPTIMIZED evaluator by default. * Adjust test for the OPTIMIZED evaluator default. * Fix failure for OPTIMIZED parallel evaluation. * Fix conda build failure due to long prefix on Mac. * Update to NumPy C-API 1.7.
Release 1.1.1 Changes since v1.1 * Extract exact version from a tagged git archive. * Use matplotlib.pyplot in examples script. * Fix issues reported by pyflakes. * Replace deprecated failIf, failUnless functions. * Add missing overrides to DerivedStructureAdapter. * Check site index in StructureAdapter methods. * Fix unit tests for the SFAverage class. * Use Python attributes before DoubleAttr. * Disclaim compatibility with Python 2.6. * Avoid failure on importing pdfenvelope first. * Fix data conversion from non-contiguous NumPy array. This fixes invalid results from of fftgtof, fftftog. * Describe arguments in extractQuantityType function. * Run travis tests within the git working directory. * Adjust for conda-build 2.0. * Stop using deprecated __conda_version__.txt file. * Support array argument to PDFEnvelope, PDFBaseline. * Bump up MACOSX_DEPLOYMENT_TARGET to 10.7 for conda. * Add configuration file for the test coverage tool. * Use common wrappers for the class registry methods. * Expose the new class registry methods, _deregisterType, _aliasType, isRegisteredType, and getAliasedTypes. * Deregister any Python-extended prototypes on exit. * Require libdiffpy version 1.3.2 or later. * Wrap custom valence functions in BVParametersTable. * Simplify code for AtomicStructureAdapter indexing. * Make the project tarball reproducible on Mac OS X. * Use short hash in commit created by `make publish`. * Raise TypeError on invalid init or call argument. * Simplify redefinition of user envelopes or baselines.
Mirrored from svn://[email protected]/diffraction/diffraction/diffpy.srrea… …l@6920
Release 1.1 Changes since v1.0: * Fix slicing for AtomicStructureAdapter and derived classes. * Adjust for new default rmax. * Use direct access to numpy arrays for Atom attributes. * Improve conversion from diffpy.Structure. * Use single definition for the bvparmYYYY.cif string. * Improve representation for blank BVParam(). * Export all wrapped ScatteringFactorTable classes. * Improve wrappers for the ticker() method. * Register CovalentRadiiTable on import of overlapcalculator. * Fix bug in dimensions check. * Run egg_info when git commit changes. * Improve version handling for git and tar-based installations. * Implicitly convert of StructureAdapterPtr to its const type. * Add get_libdiffpy_version_info function. * Support OPTIMIZED calculation in Python-derived classes. * Format post-release versions as per PEP 440. * Add read-only property PDFCalculator.qstep. * Issue a warning when boost_python is not detected. * Add conda build recipe. * Activate travis builds and coverage reports. * Add badges for unit test status and test coverage. * Convert libdiffpy_version_info to namedtuple. * Always import Python tweaks to extension classes. * Add extraction of NumPy arrays from python::object. * Allow numpy arrays for q in ScatteringFactorTable.lookup. * Pass on the LD_RUN_PATH environment variable in scons. * Update README with conda instructions. * Add class SFAverage for scattering factors stats. * Clean up unused imports and names. * Use package-level logger for test-related warnings. * Activate the napoleon extension for sphinx.
Pre-release 1.1 alpha 1. Changes since v1.0a0: * Issue a warning when boost_python is not detected. * Add conda build recipe. * Activate travis builds and coverage reports. * Add badges for unit test status and test coverage. * Use the latest packages for conda build.
Pre-release 1.1 alpha 0. Changes since v1.0: * Fix slicing for AtomicStructureAdapter and derived classes. * Adjust for new default rmax. * Use direct access to numpy arrays for Atom attributes. * Improve conversion from diffpy.Structure. * Use single definition for the bvparmYYYY.cif string. * Improve representation for blank BVParam(). * Export all wrapped ScatteringFactorTable classes. * Improve wrappers for the ticker() method. * Register CovalentRadiiTable on import of overlapcalculator. * Fix bug in dimensions check. * Run egg_info when git commit changes. * Improve version handling for git and tar-based installations. * Implicitly convert of StructureAdapterPtr to its const type. * Add get_libdiffpy_version_info function. * Support OPTIMIZED calculation in Python-derived classes. * Format post-release versions as per PEP 440. * Add read-only property PDFCalculator.qstep.
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