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Release 2.0
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@pavoljuhas pavoljuhas released this 15 Jan 00:35
v2.0
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pavoljuhas Pavol Juhas
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Use the attached tarball, automatic archives have incomplete version data.

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6aed78c4769d4eab30f3cda746714b09  pyobjcryst-2.0.tar.gz

Changes since v1.0:

  • Improve handling of version metadata.
  • Add interface to the ScatteringData class.
  • Add interface to DiffractionDataSingleCrystal.
  • Format post-release versions as per PEP 440.
  • Avoid crash for scattering power of dummy atoms.
  • Pass compiler environment variables for Mac OS X.
  • Add interface to Molecule::GetFormula.
  • Add Crystal::ConnectAtoms() and extra options to CreateCrystalFromCIF.
  • Add interface to PowderPattern classes.
  • Adjust for the changed API in libobjcryst v2015.
  • Use the latest python_streambuf.hpp from cctbx.
  • Add conda build recipe.
  • Activate travis builds and coverage reports.
  • Add badges for unit test status and test coverage.
  • Remove unnecessary headers and ScatteringDataWrap.
  • Fix code formatting - remove trailing blanks and empty lines.
  • Clean up redundant includes.
  • Enforce object-ownership of PowderPattern components.
  • Add libobjcryst_version_info to the version module.
  • Update installation instructions in README file.
  • Add loadCrystal convenience function.
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