Bugs spotted when going through export

[kjappelbaum]

-'Question: What is the count of hexamethylene in the molecule with InChI InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h15-17,21H,3-11H2,1-2H3?\nConstraint: return a list of integers.' returns 57

• 'Question: What is the count of lauryl in the molecule with InChI InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h15-17,21H,3-11H2,1-2H3?\nConstraint: return a list of integers.' return 48

We need unit tests for the SMARTs they do no work as expected.

[kjappelbaum]

one can use https://smarts.plus/smartsview to check the SMARTS

[Harkhymadhe]

I'll also begin working on this. Then again, we already know that there are issues with Inchi molecules.

[kjappelbaum]

is this still an issue or do we now have tests for that?

[Harkhymadhe]

is this still an issue or do we now have tests for that?

Haven't had the time to check it out. Will keep this in mind.