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>

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< double >	xsp ()
ObjexxFCL::FArray1D< double >	xse ()
ObjexxFCL::FArray2D< double >	xm ()
double	xre ()
double	xrp ()

Static Public Member Functions
static RmsData *	instance ()

Protected Member Functions
	RmsData ()
	set up RmsData with default values More...
	RmsData (const RmsData &)
RmsData &	operator= (const RmsData &)

Private Attributes
ObjexxFCL::FArray2D< double >	xm_
	returns the number of points More...
double	xre_
double	xrp_
ObjexxFCL::FArray1D< double >	xse_
ObjexxFCL::FArray1D< double >	xsp_
int	count_

Static Private Attributes
static RmsData *	pinstance_ = 0

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().

Referenced by instance().

numeric::model_quality::RmsData::RmsData ( const RmsData &  )

protected

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.

add_rms

Detailed: 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:

Authors

Last Modified:

References count_, basic::options::OptionKeys::frags::j, xm_, xre_, xrp_, xse_, and xsp_.

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

void numeric::model_quality::RmsData::clear_rms

(

)

clear the data in this RmsData

References count_, basic::options::OptionKeys::frags::j, xm_, xre_, xrp_, xse_, and xsp_.

Referenced by numeric::model_quality::maxsub(), and RmsData().

int numeric::model_quality::RmsData::count ( )

inline

returns the number of points in this RmsData

References count_.

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

RmsData * numeric::model_quality::RmsData::instance ( )

static

References pinstance_, and RmsData().

Referenced by numeric::model_quality::maxsub(), and numeric::model_quality::rmsfitca3().

RmsData& numeric::model_quality::RmsData::operator= ( const RmsData &  )

protected

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().

Member Data Documentation

int numeric::model_quality::RmsData::count_

private

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

RmsData * numeric::model_quality::RmsData::pinstance_ = 0

staticprivate

Referenced by instance().

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().

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

• symlinks/rosetta/src/numeric/model_quality/RmsData.hh
• symlinks/rosetta/src/numeric/model_quality/RmsData.cc