John Mayfield

Here is a more minimal example summarised example. The issue is [JNA's](https://github.com/java-native-access/jna) ``NativeLibrary.getInstance("nativelibname")`` does not seem to be able to load from the classpath like it does from Java. Note...

Yes this is a standard mechanism in JNA. You can see on the linked project (CDK) the git workflow runs the test suite on Linux which needs to load the...

Need some time to review but looks very interesting, thanks for contributing. The minimal speed gain is likely because of the approximate matching first and this covers almost all cases....

Sorry been busy so only just looked at this, could you add a copyright/license header to the new files. Also I would add a comment pointing to the C implementation.

Hi Mark, can you send a link to the code you tracked down. The API is pretty stable and worse is something that is not longer used will go in...

Can you point me to the code you're looking at. We have all the history tracked on git and when back in time (cdk-1.4.x) and could not find it. Also...

> That said, I came across another older class that features a ReactionEnumerator. https://sourceforge.net/p/cdk/svn/HEAD/tree/cdk-taverna/trunk/src/main/java/org/openscience/cdk/applications/taverna/reactionenumerator/ReactionEnumerator.java Well that **IS** the ReactionEnumerator, it was only in the taverna project. Which makes sense since...

No firm timeline, other than "when it's ready". It's mainly focussed on SMIRKS but if you send me an example RXN file I can see what would possible. The key...

The SMIRKS code is now merged - OK to close?

I would try and avoid adding a new module, if anything I would like to try and simplify/collapse the number modules. - Possibly ErtlFunctionalGroupFinder in **cdk-fragment** but need to check...