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base repository: cdk/cdk
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head repository: cdk/cdk
compare: c887ff3a5941
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  • 12 commits
  • 39 files changed
  • 1 contributor

Commits on Oct 16, 2016

  1. Handle R atoms.

    @johnmay
    johnmay committed Oct 16, 2016
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  2. Logger needs to be static - logging can happen in super class.

    @johnmay
    johnmay committed Oct 16, 2016
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  3. PDB atom semantics.

    @johnmay
    johnmay committed Oct 16, 2016
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  4. These are not valid atom symbols.

    @johnmay
    johnmay committed Oct 16, 2016
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  5. Systematic errors with PDB code. Atom IDs being wrongly set as symbol… 

    …, the pdb_atomtypes.xml shows the correct config.
    @johnmay
    johnmay committed Oct 16, 2016
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  6. More debug atoms needing static loggers.

    @johnmay
    johnmay committed Oct 16, 2016
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  7. More Atom Id usage

    @johnmay
    johnmay committed Oct 16, 2016
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  8. Avoid invalid atom symbols, X is an atom type id!

    @johnmay
    johnmay committed Oct 16, 2016
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  9. Hydrogen semantics have changed.

    @johnmay
    johnmay committed Oct 16, 2016
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  10. More bad atom symbols again.

    @johnmay
    johnmay committed Oct 16, 2016
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  11. Hydrogen count semantics change - defaults to zero with provided symbol.

    @johnmay
    johnmay committed Oct 16, 2016
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  12. Correct more test with bad atom symbols and symbol visibility due to … 

    …hcount.
    @johnmay
    johnmay committed Oct 16, 2016
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