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Draft: WIP Add tests for orires

Joe Jordan requested to merge ejj-orires-test into ejj-remove-mdatoms-orires

This is an attempt to add tests for orires. Currently it throws at line 151 of orires.cpp due to conditions that I do not understand. Once this condition, if it is not itself a bug, is satisfied, masses will still need to be added before the test can actually not throw.

I changed an assert to a throw so that the test could actually run.

Edited by Joe Jordan

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