Fixes feature request https://sourceforge.net/tracker/?func=detail&atid=370024&aid=2984928&group_id=20024
The test looks a bit weird, and testing that the carbons are aromatic twice?
I will apply it anyway.
Well, the first portion tests whethre the appropriate atoms (in terms of index) have been flaged. The second part makes sure that they were the carbons
Should line 188-189 not be something like the following then:
for (atom in mol) if (isAromatic(atom)) assert(notCarbon(atom))
No - only carbons are marked as aromatic in the test file, so it should be
if (isAromatic(atom) asset(isCarbon(atom))
if (isCarbon(atom)) assert(isAromatic(atom))
Hahahaha... stupid mistake... I mean indeed:
But my point was that your other option (which matches what was in your patch) is already tested by the first asserts..