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:

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 ()
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
RmsData &	operator= (const RmsData &)=delete

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_

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

RmsData() [1/2]

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

protected

set up RmsData with default values

References clear_rms().

RmsData() [2/2]

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

protecteddelete

Member Function Documentation

add_rms()

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< T >::dimension(), create_a3b_hbs::i, create_a3b_hbs::j, create_a3b_hbs::k, xm_, xre_, xrp_, xse_, and xsp_.

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

clear_rms()

void numeric::model_quality::RmsData::clear_rms

(

)

clear the data in this RmsData

References count_, ObjexxFCL::FArray2D< T >::dimension(), ObjexxFCL::FArray1D< T >::dimension(), create_a3b_hbs::j, create_a3b_hbs::k, xm_, xre_, xrp_, xse_, and xsp_.

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

count()

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().

operator=()

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

protecteddelete

xm()

ObjexxFCL::FArray2D< double > numeric::model_quality::RmsData::xm ( )

inline

References xm_.

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

xre()

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

inline

References xre_.

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

xrp()

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

inline

References xrp_.

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

xse()

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

inline

References xse_.

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

xsp()

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

inline

References xsp_.

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

Friends And Related Function Documentation

utility::SingletonBase< RmsData >

friend class utility::SingletonBase< RmsData >

friend

Member Data Documentation

count_

int numeric::model_quality::RmsData::count_

private

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

xm_

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

private

returns the number of points

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

xre_

double numeric::model_quality::RmsData::xre_

private

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

xrp_

double numeric::model_quality::RmsData::xrp_

private

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

xse_

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

private

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

xsp_

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:

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