Implement test case demonstrating expected usage of `get_chemscorev1.6.71`

RECETOX / recetox-xMSannotator

This is a custom adaptation of the original version of xMSannotator. It is a complete rewrite of the original functionality, following the same program structure.

GNU General Public License v3.0

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Implement test case demonstrating expected usage of `get_chemscorev1.6.71` #72

Closed hechth closed 3 years ago

hechth commented 3 years ago

Implement a test case that shows how to we will call the get_chemscore function from the master branch to compute the score with our input data.