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Single atom cases for UIT (and CDKMCS) contain a self match for single atom cases
Here's a summary: https://gist.github.com/3200817
Fix is included in patch #3546768 but I will include a separate patch for this.
Small fix is on this branch (will probably clash with the other patch) -
Applied and pushed, but where is the fix again?
Never mind! Figurered it out :)
The other patch looks good too. How was this gone unnoticed for so long??