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protocols::noesy_assign::StructureDependentPeakCalibrator Class Reference

#include <StructureDependentPeakCalibrator.hh>

Inheritance diagram for protocols::noesy_assign::StructureDependentPeakCalibrator:
Inheritance graph
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Public Types

typedef utility::vector1
< core::pose::PoseOP
PoseVector
 
- Public Types inherited from protocols::noesy_assign::PeakCalibrator
typedef std::bitset< MAX_TYPETypeCumulator
 

Public Member Functions

 StructureDependentPeakCalibrator (PoseVector const &structures, core::Real dcalibrate)
 
PeakCalibratorOP fresh_instance () override
 
void collect_upperbound_statistics (core::Size, TypeCumulator const &) override
 
void init_calibrator () override
 
void generate_constraints ()
 
void eliminate_violated_constraints () override
 
- Public Member Functions inherited from protocols::noesy_assign::PeakCalibrator
 ~PeakCalibrator () override
 Automatically generated virtual destructor for class deriving directly from VirtualBase. More...
 
 PeakCalibrator (int target_sign)
 
void reset_statistics ()
 
void collect_target_statistics (core::Real, TypeCumulator const &)
 
bool interpolate_on_statistics ()
 
core::Real operator() (CALIBRATION_ATOM_TYPE atom) const
 
core::Real calibration_constant (CALIBRATION_ATOM_TYPE type) const
 
void interpolate_too_small (core::Size type)
 
void interpolate_too_big (core::Size type)
 
void reset_calibration_constants ()
 
void add_peak (CrossPeakOP peak)
 
void set_new_upper_bounds ()
 
void do_calibration ()
 
void set_target_and_tolerance (core::Real target, core::Real tolerance)
 

Private Attributes

PoseVector structures_
 
utility::vector1
< core::scoring::constraints::ConstraintOP
constraints_
 
core::Real dcalibrate_
 

Additional Inherited Members

- Static Public Member Functions inherited from protocols::noesy_assign::PeakCalibrator
static CALIBRATION_ATOM_TYPE atom_type (core::id::NamedAtomID const &atom, core::chemical::AA aa)
 
- Protected Member Functions inherited from protocols::noesy_assign::PeakCalibrator
utility::vector1< CrossPeakOP >
const & 
peaks ()
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::noesy_assign::StructureDependentPeakCalibrator::StructureDependentPeakCalibrator ( PoseVector const &  structures,
core::Real  dcalibrate 
)
inline

Member Function Documentation

void protocols::noesy_assign::StructureDependentPeakCalibrator::collect_upperbound_statistics ( core::Size  peak,
TypeCumulator const &  types 
)
overridevirtual
void protocols::noesy_assign::StructureDependentPeakCalibrator::eliminate_violated_constraints ( )
overridevirtual
PeakCalibratorOP protocols::noesy_assign::StructureDependentPeakCalibrator::fresh_instance ( )
inlineoverridevirtual
void protocols::noesy_assign::StructureDependentPeakCalibrator::generate_constraints ( )
void protocols::noesy_assign::StructureDependentPeakCalibrator::init_calibrator ( )
overridevirtual

Member Data Documentation

utility::vector1< core::scoring::constraints::ConstraintOP > protocols::noesy_assign::StructureDependentPeakCalibrator::constraints_
private
core::Real protocols::noesy_assign::StructureDependentPeakCalibrator::dcalibrate_
private

Referenced by fresh_instance().

PoseVector protocols::noesy_assign::StructureDependentPeakCalibrator::structures_
private

Referenced by fresh_instance().


The documentation for this class was generated from the following files: