[ENHANCEMENT] Update angular correlation and molecule related jobs

ISISNeutronMuon / MDANSE

MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments

https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx

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[ENHANCEMENT] Update angular correlation and molecule related jobs #399

Open ChiCheng45 opened 3 months ago

ChiCheng45 commented 3 months ago

Is your feature request related to a problem? Please describe. For the angular correlation job it would be nice to be able to select different molecular axis e.g. the molecules rotational axis. For all molecule related jobs it would be able to select more then one molecule.

Additionally I think that bulk structures should not be selectable in molecule related jobs.

ChiCheng45 commented 3 months ago

Also the current implementation of angular correlation does not follow what is stated in the documentation. The current implementation and/or code will need to be changed.