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#746 Graph Matching

Accepted
closed
nobody
None
master
1
2014-04-06
2014-02-15
John May
No

Porting the graph matchingdata structure and algorithms from Beam. These allow for efficient kekulisation though graph matching. I haven't added the kekulisation yet but as shown in the
tests of the patch all that is needed is to identify the atoms that should be next to a pi bond but aren't.

feature/graph-matching

Discussion

  • John May

    John May - 2014-02-15
    • Description has changed:

    Diff:

    --- old
+++ new
@@ -1,4 +1,4 @@
 Porting the graph matchingdata structure and algorithms from Beam. These allow for efficient kekulisation though graph matching. I haven't added the kekulisation yet but as shown in the
 tests of the patch all that is needed is to identify the atoms that should be next to a pi bond but aren't.

-https://github.com/johnmay/cdk/compare/feature;graph-matching
+[feature/graph-matching](https://github.com/johnmay/cdk/compare/feature;graph-matching)
     

  • John May

    John May - 2014-02-17

    Note - files will need migration.

     

  • John May

    John May - 2014-02-22

    Okay fixed up for new source roots.

     

  • John May

    John May - 2014-03-09

    Hmm - well I thought I fixed it but some files had the wrong name. Fixed now.

     

  • Egon Willighagen

    Egon Willighagen - 2014-04-06
    • status: open --> closed
    • Group: Needs_Review --> Accepted
     

  • Egon Willighagen

    Egon Willighagen - 2014-04-06

    Looks good. Applied and pushed. Left a comment, though.

     

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