diff --git a/source/src/core/simple_metrics/metrics/RMSDMetric.hh b/source/src/core/simple_metrics/metrics/RMSDMetric.hh index d9def810a8..82d709a495 100644 --- a/source/src/core/simple_metrics/metrics/RMSDMetric.hh +++ b/source/src/core/simple_metrics/metrics/RMSDMetric.hh @@ -32,12 +32,12 @@ namespace core { namespace simple_metrics { namespace metrics { -///@brief A metric to calculate the RMSD between two poses. +///@brief A metric to calculate the RMSD between two poses. /// Please note that by default it doesn't align poses. You need to set set_run_superimpose() to True for performing alignment. /// You Can set a subset of residues to calculate via ResidueSelector. /// -/// By default RMSD is calcualted between all atoms other than hydrogens (all_heavy). This can be changed via **set_rmsd_type** -/// +/// By default RMSD is calcualted between all atoms other than hydrogens (all_heavy). This can be changed via **set_rmsd_type** +/// /// @details We match all corresponding atoms and do not fail if a residue does not match up. /// class RMSDMetric : public core::simple_metrics::RealMetric{ @@ -131,19 +131,19 @@ public: set_run_superimpose( bool super ); ///@brief Set what we will be calculating the RMSD on. - /// + /// /// By default RMSD is calcualted between all atoms other than hydrogens (all_heavy). /// /// You can look up core/rms/rms_enum.hh for available options. Right now the available options are: - /// rmsd_protein_bb_heavy: backbone heavy atoms N,CA,C - /// rmsd_protein_bb_heavy_including_O: backbone heavy atoms N,CA,C,O + /// rmsd_protein_bb_heavy: backbone heavy atoms N,CA,C + /// rmsd_protein_bb_heavy_including_O: backbone heavy atoms N,CA,C,O /// rmsd_protein_bb_ca: CA (C-alpha) /// rmsd_sc_heavy: side chain heavy atoms - /// rmsd_sc: all side chain atoms (including H) + /// rmsd_sc: all side chain atoms (including H) /// rmsd_all_heavy: all heavy atoms /// rmsd_all: all atoms - /// - /// Example: + /// + /// Example: /// metric = rosetta.core.simple_metrics.metrics.RMSDMetric(pose_1) /// metric.set_rmsd_type(rosetta.core.scoring.rmsd_protein_bb_heavy) /// metric.set_run_superimpose(True) diff --git a/tests/benchmark/tests/code_quality.py b/tests/benchmark/tests/code_quality.py index 1d9a53534d..bb67c35226 100644 --- a/tests/benchmark/tests/code_quality.py +++ b/tests/benchmark/tests/code_quality.py @@ -470,6 +470,9 @@ def run_beautification_test(rosetta_dir, working_dir, platform, config, hpc_driv if res: state, output = _S_failed_, 'Some of the source code looks ugly!!! Script test_all_files_already_beautiful.py output:\n' + o + res_diff, diff = execute('Generating patch file for changes', 'cd {}/source && git --no-pager diff --no-color'.format(rosetta_dir), return_="tuple") + with open(working_dir+'/full_diff.patch', 'w') as f: f.write(diff) + output += "\n\nSee full_diff.patch in the `Test files` for the full list of changes\n" else: state = _S_passed_