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numeric::model_quality::RmsData Class Reference

RmsData is a class intended to replace the global rms_obj namespace from rosetta++. Initial implementation is with a singleton design pattern to mimic a global namespace from rosetta++. More...

#include <RmsData.hh>

Inheritance diagram for numeric::model_quality::RmsData:
Inheritance graph
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Public Member Functions

void add_rms (int i, ObjexxFCL::FArray2A< double > xp, ObjexxFCL::FArray2A< double > xe)
 computes a 3x3 matrix of cross moments between the x,y,z components of the two input vectors. More...
 
void clear_rms ()
 clear the data in this RmsData More...
 
int count ()
 returns the number of points in this RmsData More...
 
ObjexxFCL::FArray1D< doublexsp ()
 
ObjexxFCL::FArray1D< doublexse ()
 
ObjexxFCL::FArray2D< doublexm ()
 
double xre ()
 
double xrp ()
 
- Public Member Functions inherited from utility::SingletonBase< RmsData >
 SingletonBase ()
 public constructor (the derived class must have a private constructor, of course). More...
 

Protected Member Functions

 RmsData ()
 set up RmsData with default values More...
 
 RmsData (const RmsData &)=delete
 
RmsDataoperator= (const RmsData &)=delete
 

Private Attributes

ObjexxFCL::FArray2D< doublexm_
 returns the number of points More...
 
double xre_
 
double xrp_
 
ObjexxFCL::FArray1D< doublexse_
 
ObjexxFCL::FArray1D< doublexsp_
 
int count_
 

Friends

class utility::SingletonBase< RmsData >
 

Additional Inherited Members

- Static Public Member Functions inherited from utility::SingletonBase< RmsData >
static RmsData * get_instance ()
 Safely instantiate a singleton class in a (possibly) multithreaded context. More...
 

Detailed Description

RmsData is a class intended to replace the global rms_obj namespace from rosetta++. Initial implementation is with a singleton design pattern to mimic a global namespace from rosetta++.

Constructor & Destructor Documentation

numeric::model_quality::RmsData::RmsData ( )
protected

set up RmsData with default values

References clear_rms().

numeric::model_quality::RmsData::RmsData ( const RmsData )
protecteddelete

Member Function Documentation

void numeric::model_quality::RmsData::add_rms ( int  i,
ObjexxFCL::FArray2A< double xp,
ObjexxFCL::FArray2A< double xe 
)

computes a 3x3 matrix of cross moments between the x,y,z components of the two input vectors.

the output is the running sum of these matricies

Parameters
i- [in/out]? -
xp- [in/out]? -
xe- [in/out]? -
Global Read:
Global Write:
Remarks
References:
Author

References count_, ObjexxFCL::FArray2A< typename >::dimension(), basic::options::OptionKeys::frags::j, xm_, xre_, xrp_, xse_, and xsp_.

void numeric::model_quality::RmsData::clear_rms ( )
int numeric::model_quality::RmsData::count ( )
inline

returns the number of points in this RmsData

References count_.

Referenced by pyrosetta.distributed.utility.log.ProgressLogger::enumerate(), and numeric::model_quality::rmsfitca3().

RmsData& numeric::model_quality::RmsData::operator= ( const RmsData )
protecteddelete
ObjexxFCL::FArray2D< double > numeric::model_quality::RmsData::xm ( )
inline

References xm_.

Referenced by numeric::model_quality::rmsfitca3().

double numeric::model_quality::RmsData::xre ( )
inline

References xre_.

Referenced by numeric::model_quality::rmsfitca3().

double numeric::model_quality::RmsData::xrp ( )
inline

References xrp_.

Referenced by numeric::model_quality::rmsfitca3().

ObjexxFCL::FArray1D< double > numeric::model_quality::RmsData::xse ( )
inline

References xse_.

Referenced by numeric::model_quality::rmsfitca3().

ObjexxFCL::FArray1D< double > numeric::model_quality::RmsData::xsp ( )
inline

References xsp_.

Referenced by numeric::model_quality::rmsfitca3().

Friends And Related Function Documentation

friend class utility::SingletonBase< RmsData >
friend

Member Data Documentation

int numeric::model_quality::RmsData::count_
private

Referenced by add_rms(), clear_rms(), and count().

ObjexxFCL::FArray2D< double > numeric::model_quality::RmsData::xm_
private

returns the number of points

Referenced by add_rms(), clear_rms(), and xm().

double numeric::model_quality::RmsData::xre_
private

Referenced by add_rms(), clear_rms(), and xre().

double numeric::model_quality::RmsData::xrp_
private

Referenced by add_rms(), clear_rms(), and xrp().

ObjexxFCL::FArray1D< double > numeric::model_quality::RmsData::xse_
private

Referenced by add_rms(), clear_rms(), and xse().

ObjexxFCL::FArray1D< double > numeric::model_quality::RmsData::xsp_
private

Referenced by add_rms(), clear_rms(), and xsp().


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