I need to find all the paths between two atoms. I can't think of a way to do
this simply and wondering if anyone knows of a cdk class that may help.
I tried finding the shortest path, then if is not the one I am looking for, I
deleted this path and look for the next shortest path. Unfortunately this
messes up the molecule so is not reliable.
What I need is a list of all walks/paths between two atoms which I can then
sort into size order and then test to see which is the shortest one that
satisfies my criteria. I bet there's a cdk class that does this - just can't
seem to find one.
Any ideas?
Ed Barker
------------------------------------------------------------------------------
EditLive Enterprise is the world's most technically advanced content
authoring tool. Experience the power of Track Changes, Inline Image
Editing and ensure content is compliant with Accessibility Checking.
http://p.sf.net/sfu/ephox-dev2dev
_______________________________________________
Cdk-user mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/cdk-user
