#375 Make isomorphism independent of data

master (162)

Mark RIjnbeek and I worked on making the isomorphism module independent from the data module. I just recovered this patch in my tree. I like to see it applied to cdk-1.4.x.

It's a bit of involved patch but I just forgot to file it earlier.


  • Egon Willighagen

    12 patches in total.

  • gilleain maclean torrance

    Some comments:

    0004 : QueryAtom : The Vecmath classes are (unnecessarily) fully qualified imports. Some of the class members have no access modifier; are they meant to be package-protected?

    0009 : QueryAtomContainer : Some methods related to ElectronContainers have been commented out. Could these be removed?

  • Egon Willighagen

    Gilleain, turned out that the past was already applied to master :(

    I have attached two patches to address your comments.

  • gilleain maclean torrance

    Looks fine, signed-off.

  • Egon Willighagen

    Thanx, push to master.


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