Adding Dihedral Analysis

[ALescoulie]

MDPOW.analysis.dihedral

The dihedral analysis script will be build using EnsembleAnalysis to get the dihedrals for given atom groups. My plan is for it to take an EnsembleAtomGroup with four atoms selected from each system, then return the dihedrals in a DataFrame

• Implement DihdralAnalysis class with EnsembleAnalysis
• Develop tests

[orbeckst]

@ALescoulie are you going to do the PR for changing Ensemble before pushing this one?

[ALescoulie]

Yeah, I'll get that one up soon

[ALescoulie]

@orbeckst the fix to EnsembleAtomGroup.ensemble() is up on PR #192, with that I'll be less concerned about passing a list of EnsembleAtomGroups into DihedralAnalysis. Do you want the analysis modules to be added via individual PRs.

[orbeckst]

Yes, make each analysis module a separate PR with a separate issue as this keeps discussion focused. It also helps if one thing turns out to be more complicated than others, then that won't hold up the others.