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Releases: InformaticsMatters/pipelines-utils-rdkit

pypi-1.5.11

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@tdudgeon tdudgeon released this 10 Mar 14:45

Additional filters for filter.py

pypi-1.5.10

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@tdudgeon tdudgeon released this 20 Nov 15:41
removal of duplicated methods

Better handling of txt

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@alanbchristie alanbchristie released this 09 Jul 15:15
  • Better handling of unexpected my_type and txt values in parse_mol_simple()

Fixed problem with missing _Name property

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@tdudgeon tdudgeon released this 25 Apr 14:15
pypi-1.5.8

fix bug with missing _Name property

default_open_input_sdf() now uses sys.stdin.buffer

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@alanbchristie alanbchristie released this 09 Apr 11:46
  • An adjustment for the move to Python 3

x.next() -> next(x)

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@alanbchristie alanbchristie released this 09 Apr 11:08
  • Further work migrating to Python 3

Support for as_text in utils.open_file()

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@alanbchristie alanbchristie released this 09 Apr 10:46
  • Part of work for migration to Python 3

MolFromTypedColumnReader iterator fix for Python 3

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@alanbchristie alanbchristie released this 08 Apr 15:37
- Patched MolFromTypedColumnReader for Python 2 & 3 support

  (iterator style)

gzip.open instances now use 'rt' mode

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@alanbchristie alanbchristie released this 08 Apr 15:08
  • In the prior release this was not set but needs to be to correctly function in Python 3

Python 3-compatible dot-notation for imports

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@alanbchristie alanbchristie released this 04 Apr 13:12
  • Adjusted relative imports for Python 3 compliance