Merge pull request #3311 from RosettaCommons/jadolfbr/new_per_residue_metrics
Add a few PerResidueRealMetrics and put native pose into the data map as resource
New PerResidueRealMetrics
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This PR adds 4 new `PerResidueRealMetrics`, and refactors other SimpleMetrics to use them as their base code:
- `PerResidueEnergyMetric` - calculate per-residue total_energy or any given score type. Uses delta if input is given
- `PerResidueSasaMetric` - calculate per-residue sasa
- `PerResidueRMSDMetric` - calculates per-residue RMSD in same vein as the RMSDMetric
- `PerResidueDensityFitMetric` - calculates the density fit for each residue. This is now used by the `DensityFitResidueSelector`
Add Integration test for all of these. Their core code is unit tested by others as sums.
Fix up code templates, ref_pose functionality has been moved to core. All metrics that were previously tied to loading the native pose have been moved to core to increase their utility.
Note:
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This also adds any set `-in:file:native` as a resource in the DataMap. This reduces code duplication and allows the native to be loaded once and accessed as a resource in any RS class without global data. This also works with JD3 - as it uses a local `OptionsCollection`, and is MUCH easier to use than the `SavePoseMover`