[Cdk-commits] [cdk/cdk] 54c8a3: Having the hydrogens present when reading the MDL ...

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  Branch: refs/heads/master
  Home:   https://github.com/cdk/cdk
  Commit: 54c8a3a0b9aa07da3bccb440c4b3bea2b715dc05
      https://github.com/cdk/cdk/commit/54c8a3a0b9aa07da3bccb440c4b3bea2b715dc05
  Author: John May <joh...@gm...>
  Date:   2013-09-18 (Wed, 18 Sep 2013)

  Changed paths:
    M src/test/org/openscience/cdk/smiles/SmilesGeneratorTest.java

  Log Message:
  -----------
  Having the hydrogens present when reading the MDL Mol files means the canonicalisation now changes. One can confirm the SMILES are the same but only written differently. Two tests checked that ring closures could include double bond symbols 'C=1C=CC=CC=1'. This is no longer the case as the canonical form doesn't have the double bonds on the closures but the output is correct.

Signed-off-by: Egon Willighagen <eg...@us...>