Merge pull request #1017 from RosettaCommons/revert-1016-revert-1015-vmullig/hbond_resselect
Adding support for ResidueSelectors to the HbondsToResidueFilter (reverting the reversion)
Reverts RosettaCommons/main#1016 (which reverted the premature merge)
If the user provides a ResidueSelector, the filter will only count hydrogen bonds between the specified residue and residues in the selection. In the absence of a ResidueSelector, the old behaviour (counting hydrogen bonds between the specified residue and all pose residues) will be preserved.
Tasks:
- Add ResidueSelectorCOP to HbondsToResidueFilter class private member variables.
- Parse ResidueSelector in parse_my_tag() function.
- Add ResidueSelector functionality in apply() function.
- Integration test.
- Documentation.