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Revisions №60300

branch: master 「№60300」
Commited by: Jared Adolf-Bryfogle
GitHub commit link: 「f45d9f2240d03f1a」 「№3299」
Difference from previous tested commit:  code diff
Commit date: 2018-07-10 11:40:20

Merge pull request #3299 from RosettaCommons/jadolfbr/per_residue_metrics Add support for Per-Residue SimpleMetrics This PR adds two new types of `SimpleMetrics` and associated Code Templates: - `PerResidueRealMetric` - `PerResidueStringMetric` These metrics return values for each residue that is masked by a `ResidueSelector` (which is specified in the base classes for a more consistent interface across all PerResidue metrics). During their apply, they write a value for each residue using Rosetta (default) or PDB identification, as well as the SUM over all of the residues specified. These have also been incorporated into the `SimpleMetricFilter` and `SimpleMetricFeaturesReporter` systems. For the filter, these can act as a `CompositeMetric`, or a user can filter on the Sum, acting as a normal SimpleMetric. For the Reporter, the data goes into their own per-residue table, with `resNum` as a foreign Key to aid in robust analysis. Unit tests have been updated to test this new functionality. Existing SimpleMetrics such as the `SASAMetric`, `RMSDMetric`, and `EnergyMetric` will be converted to have their primary code as a `PerResidueRealMetric`.