Update of "smoke tests"

TUCAN-nest / TUCAN

A molecular identifier and descriptor for all domains of chemistry.

https://tucan-nest.github.io

GNU General Public License v3.0

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Update of "smoke tests" #30

Closed schatzsc closed 2 years ago

schatzsc commented 2 years ago

The smoke tests fail after inchi_string[8] was added to the main code (but not the test suite), which calculates the sum of neighbour atom index numbers to detect degeneracy problem

JanCBrammer commented 2 years ago

Closing with 4da32a9.