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core::simple_metrics::metrics Namespace Reference

Classes

class  CalculatorMetric
 A metric which can combine other metrics. More...
 
class  CalculatorMetricCreator
 
class  DihedralDistanceMetric
 A metric to calculate the dihedral distance between two poses. Can set a subset of residues to calculate via ResidueSelector. More...
 
class  DihedralDistanceMetricCreator
 
class  InteractionEnergyMetric
 Calculate the interaction energy between residues in two ResidueSelectors in a single pose, including long-range interactions. Pose should be scored! More...
 
class  InteractionEnergyMetricCreator
 
class  ResidueSummaryMetric
 A SimpleMetric that takes a PerResidueRealMetric and calculates different summaries of the overall data. More...
 
class  ResidueSummaryMetricCreator
 
class  RMSDMetric
 A metric to calculate the RMSD between two poses. Can set a subset of residues to calculate via ResidueSelector. More...
 
class  RMSDMetricCreator
 
class  SasaMetric
 A Metric to cacluate overall sasa of a pose. More...
 
class  SasaMetricCreator
 
class  SecondaryStructureMetric
 A SimpleMetric to output the secondary structure of the protein or residues selected by a residue selector. Uses DSSP. More...
 
class  SecondaryStructureMetricCreator
 
class  SelectedResidueCountMetric
 A SimpleMetric that counts the number of residues in a residue selection. More...
 
class  SelectedResidueCountMetricCreator
 
class  SelectedResiduesMetric
 Output residue-selected residues to a score file as rosetta resnums or pdbnums. More...
 
class  SelectedResiduesMetricCreator
 
class  SelectedResiduesPyMOLMetric
 A utility metric to output a string of selected residues from a residue selector as a pymol selection. More...
 
class  SelectedResiduesPyMOLMetricCreator
 
class  SequenceMetric
 A SimpleMetric to output the single-letter OR three-letter sequence of a protein or subset of positions/regions using a ResidueSelector. More...
 
class  SequenceMetricCreator
 
class  SequenceSimilarityMetric
 compares the sequences of the native structure (using native flag) to the sequence of a given pose using BLOSUM 62. More...
 
class  SequenceSimilarityMetricCreator
 
class  TimingProfileMetric
 Calculate the time difference between construction and apply/calculate. Useful to time protocols in RosettaScripts or through mover containers. More...
 
class  TimingProfileMetricCreator
 
class  TotalEnergyMetric
 A metric to report the total energy of the system or the delta total energy between another input pose. More...
 
class  TotalEnergyMetricCreator
 

Typedefs

using CalculatorMetricOP = utility::pointer::shared_ptr< CalculatorMetric >
 
using CalculatorMetricCOP = utility::pointer::shared_ptr< CalculatorMetric const >
 
typedef
utility::pointer::shared_ptr
< DihedralDistanceMetric
DihedralDistanceMetricOP
 
typedef
utility::pointer::shared_ptr
< DihedralDistanceMetric const > 
DihedralDistanceMetricCOP
 
typedef
utility::pointer::shared_ptr
< InteractionEnergyMetric
InteractionEnergyMetricOP
 
typedef
utility::pointer::shared_ptr
< InteractionEnergyMetric
const > 
InteractionEnergyMetricCOP
 
typedef
utility::pointer::shared_ptr
< ResidueSummaryMetric
ResidueSummaryMetricOP
 
typedef
utility::pointer::shared_ptr
< ResidueSummaryMetric const > 
ResidueSummaryMetricCOP
 
typedef
utility::pointer::shared_ptr
< RMSDMetric
RMSDMetricOP
 
typedef
utility::pointer::shared_ptr
< RMSDMetric const > 
RMSDMetricCOP
 
typedef
utility::pointer::shared_ptr
< SasaMetric
SasaMetricOP
 
typedef
utility::pointer::shared_ptr
< SasaMetric const > 
SasaMetricCOP
 
typedef
utility::pointer::shared_ptr
< SecondaryStructureMetric
SecondaryStructureMetricOP
 
typedef
utility::pointer::shared_ptr
< SecondaryStructureMetric
const > 
SecondaryStructureMetricCOP
 
typedef
utility::pointer::shared_ptr
< SelectedResidueCountMetric
SelectedResidueCountMetricOP
 
typedef
utility::pointer::shared_ptr
< SelectedResidueCountMetric
const > 
SelectedResidueCountMetricCOP
 
typedef
utility::pointer::shared_ptr
< SelectedResiduesMetric
SelectedResiduesMetricOP
 
typedef
utility::pointer::shared_ptr
< SelectedResiduesMetric const > 
SelectedResiduesMetricCOP
 
typedef
utility::pointer::shared_ptr
< SelectedResiduesPyMOLMetric
SelectedResiduesPyMOLMetricOP
 
typedef
utility::pointer::shared_ptr
< SelectedResiduesPyMOLMetric
const > 
SelectedResiduesPyMOLMetricCOP
 
typedef
utility::pointer::shared_ptr
< SequenceMetric
SequenceMetricOP
 
typedef
utility::pointer::shared_ptr
< SequenceMetric const > 
SequenceMetricCOP
 
typedef
utility::pointer::shared_ptr
< SequenceSimilarityMetric
SequenceSimilarityMetricOP
 
typedef
utility::pointer::shared_ptr
< SequenceSimilarityMetric
const > 
SequenceSimilarityMetricCOP
 
using minutes_timing = duration< float, std::ratio< 60, 1 >>
 
using hours_timing = duration< float, std::ratio< 3600, 1 >>
 
typedef
utility::pointer::shared_ptr
< TimingProfileMetric
TimingProfileMetricOP
 
typedef
utility::pointer::shared_ptr
< TimingProfileMetric const > 
TimingProfileMetricCOP
 
typedef
utility::pointer::shared_ptr
< TotalEnergyMetric
TotalEnergyMetricOP
 
typedef
utility::pointer::shared_ptr
< TotalEnergyMetric const > 
TotalEnergyMetricCOP
 

Enumerations

enum  summary_type {
  sum = 1, mean, n_res_eq, n_res_ne,
  n_res_gt, n_res_lt, n_res_gt_or_eq, n_res_lt_or_eq,
  bogus, summary_type_total = bogus
}
 Enum that tells us HOW to summarize the PerResidueMetric data. More...
 
enum  SequenceMetricMode {
  SMM_ONELETTER_CODE =1, SMM_THREELETTER_CODE, SMM_BASE_NAME, SMM_FULL_NAME,
  SMM_INVALID_MODE, SMM_END_OF_LIST = SMM_INVALID_MODE
}
 The mode for this metric. If you add to this list, be sure to update the map associating this enum with corresponding strings in the .cc file. More...
 

Functions

utility::vector1< std::string > get_summary_type_strings ()
 
static const std::map
< std::string, summary_type
summary_string_to_type ({{"sum", sum},{"mean", mean},{"n_res_eq", n_res_eq},{"n_res_ne", n_res_ne},{"n_res_lt", n_res_lt},{"n_res_gt", n_res_gt},{"n_res_lt_or_eq", n_res_lt_or_eq},{"n_res_gt_or_eq", n_res_gt_or_eq}})
 
static const std::map
< SequenceMetricMode,
std::string > 
mode_to_name_map_ ({{SMM_ONELETTER_CODE,"oneletter"},{SMM_THREELETTER_CODE,"threeletter"},{SMM_BASE_NAME,"basename"},{SMM_FULL_NAME,"fullname"},{SMM_INVALID_MODE,"INVALID"}})
 The map of enum to name. More...
 

Typedef Documentation

using core::simple_metrics::metrics::CalculatorMetricCOP = typedef utility::pointer::shared_ptr< CalculatorMetric const >
using core::simple_metrics::metrics::CalculatorMetricOP = typedef utility::pointer::shared_ptr< CalculatorMetric >
using core::simple_metrics::metrics::hours_timing = typedef duration< float, std::ratio< 3600, 1>>
using core::simple_metrics::metrics::minutes_timing = typedef duration< float, std::ratio< 60, 1 >>
typedef utility::pointer::shared_ptr< RMSDMetric const > core::simple_metrics::metrics::RMSDMetricCOP
typedef utility::pointer::shared_ptr< RMSDMetric > core::simple_metrics::metrics::RMSDMetricOP
typedef utility::pointer::shared_ptr< SasaMetric const > core::simple_metrics::metrics::SasaMetricCOP
typedef utility::pointer::shared_ptr< SasaMetric > core::simple_metrics::metrics::SasaMetricOP
typedef utility::pointer::shared_ptr< SequenceMetric const > core::simple_metrics::metrics::SequenceMetricCOP
typedef utility::pointer::shared_ptr< SequenceMetric > core::simple_metrics::metrics::SequenceMetricOP
typedef utility::pointer::shared_ptr< TimingProfileMetric const > core::simple_metrics::metrics::TimingProfileMetricCOP
typedef utility::pointer::shared_ptr< TotalEnergyMetric const > core::simple_metrics::metrics::TotalEnergyMetricCOP

Enumeration Type Documentation

The mode for this metric. If you add to this list, be sure to update the map associating this enum with corresponding strings in the .cc file.

Author
Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org)
Enumerator
SMM_ONELETTER_CODE 
SMM_THREELETTER_CODE 
SMM_BASE_NAME 
SMM_FULL_NAME 
SMM_INVALID_MODE 
SMM_END_OF_LIST 

Enum that tells us HOW to summarize the PerResidueMetric data.

Enumerator
sum 
mean 
n_res_eq 
n_res_ne 
n_res_gt 
n_res_lt 
n_res_gt_or_eq 
n_res_lt_or_eq 
bogus 
summary_type_total 

Function Documentation

utility::vector1< std::string > core::simple_metrics::metrics::get_summary_type_strings ( )
static const std::map< SequenceMetricMode, std::string > core::simple_metrics::metrics::mode_to_name_map_ ( {{SMM_ONELETTER_CODE,"oneletter"},{SMM_THREELETTER_CODE,"threeletter"},{SMM_BASE_NAME,"basename"},{SMM_FULL_NAME,"fullname"},{SMM_INVALID_MODE,"INVALID"}}  )
static
static const std::map< std::string, summary_type > core::simple_metrics::metrics::summary_string_to_type ( {{"sum", sum},{"mean", mean},{"n_res_eq", n_res_eq},{"n_res_ne", n_res_ne},{"n_res_lt", n_res_lt},{"n_res_gt", n_res_gt},{"n_res_lt_or_eq", n_res_lt_or_eq},{"n_res_gt_or_eq", n_res_gt_or_eq}}  )
static