Merge pull request #5363 from RosettaCommons/vmullig/fix_rmsd_zero_error
Ensure that numeric::model_quality::rmsfitca2() doesn't fail silently
Currently, this function (which is called by `superimpose_pose()`) returns an RMSD of 0.0 on failure. This is reported as the RMSD by other code. This PR aims to fix this.
Tasks:
- [x] Have this function return its failure status.
- [x] Have `core::scoring::superimpose_pose()` do something with this information. Option to throw on error, default true.
- [x] Have simple_cycpep_predict pay attention to whether RMSD was calculated correctly.