Add check_boresch_search() to validate the ligand before a search trajectory - #490
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This PR adds a helper function for OpenBioSim/somd2#222 that checks that input is compatible with the chosen ABFE restraint search protocol. This can be used as an early check in SOMD2 when performing automated restraint searches, allowing the Aldeghi protocol to be used as a fallback in cases where the RXRX protocol isn't valid, i.e. the ligand not having H-bond donors.
develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]