class to store tables like rdfs, tabulated potentials, etc More...

#include <table.h>

Collaboration diagram for votca::tools::Table:

[legend]

Public Member Functions
void	clear ()

void	GenerateGridSpacing (double min, double max, double spacing)

void	resize (Index N)

Index	size () const

double &	x (Index i)

double &	y (Index i)

const double &	x (Index i) const

const double &	y (Index i) const

char &	flags (Index i)

double &	yerr (Index i)

void	set (const Index &i, const double &x, const double &y)

void	set (const Index &i, const double &x, const double &y, const char &flags)

void	set (const Index &i, const double &x, const double &y, const char &flags, const double &yerr)

void	set_comment (const std::string comment)

void	Load (std::string filename)

void	Save (std::string filename) const

void	Smooth (Index Nsmooth)

bool	GetHasYErr ()

void	SetHasYErr (bool has_yerr)

double	getMaxY () const
	Gets the maximum value in the y column.

double	getMinY () const
	Gets the minimum value in the y column.

double	getMaxX () const
	Gets the maximum value in the x column.

double	getMinX () const
	Gets the minimum value in the x column.

Eigen::VectorXd &	x ()

Eigen::VectorXd &	y ()

std::vector< char > &	flags ()

Eigen::VectorXd &	yerr ()

void	push_back (double x, double y, char flags=' ')

const std::string &	getErrorDetails ()

void	setErrorDetails (std::string str)

Private Attributes
Eigen::VectorXd	x_

Eigen::VectorXd	y_

std::vector< char >	flags_

Eigen::VectorXd	yerr_

std::string	error_details_ = ""

bool	has_yerr_ = false

bool	has_comment_ = false

std::string	comment_line_

Friends
std::ostream &	operator<< (std::ostream &out, const Table &t)

std::istream &	operator>> (std::istream &in, Table &t)

Detailed Description

class to store tables like rdfs, tabulated potentials, etc

Definition at line 36 of file table.h.

Member Function Documentation

◆ clear()

void votca::tools::Table::clear ( void )

Definition at line 77 of file table.cc.

◆ flags() [1/2]

std::vector< char > & votca::tools::Table::flags ( )

inline

Definition at line 106 of file table.h.

◆ flags() [2/2]

char & votca::tools::Table::flags ( Index i )

inline

Definition at line 49 of file table.h.

◆ GenerateGridSpacing()

void votca::tools::Table::GenerateGridSpacing	(	double	min,
		double	max,
		double	spacing )

Definition at line 180 of file table.cc.

◆ getErrorDetails()

const std::string & votca::tools::Table::getErrorDetails ( )

inline

Definition at line 111 of file table.h.

◆ GetHasYErr()

bool votca::tools::Table::GetHasYErr ( )

inline

Definition at line 80 of file table.h.

◆ getMaxX()

double votca::tools::Table::getMaxX ( ) const

Gets the maximum value in the x column.

Returns: - max value

Definition at line 88 of file table.cc.

◆ getMaxY()

double votca::tools::Table::getMaxY ( ) const

Gets the maximum value in the y column.

Returns: - max value

Definition at line 84 of file table.cc.

◆ getMinX()

double votca::tools::Table::getMinX ( ) const

Gets the minimum value in the x column.

Returns: - min value

Definition at line 90 of file table.cc.

◆ getMinY()

double votca::tools::Table::getMinY ( ) const

Gets the minimum value in the y column.

Returns: - min value

Definition at line 86 of file table.cc.

◆ Load()

void votca::tools::Table::Load ( std::string filename )

Definition at line 47 of file table.cc.

◆ push_back()

void votca::tools::Table::push_back	(	double	x,
		double	y,
		char	flags = ' ' )

Definition at line 235 of file table.cc.

◆ resize()

void votca::tools::Table::resize ( Index N )

Definition at line 38 of file table.cc.

◆ Save()

void votca::tools::Table::Save ( std::string filename ) const

Definition at line 59 of file table.cc.

◆ set() [1/3]

void votca::tools::Table::set	(	const Index &	i,
		const double &	x,
		const double &	y )

inline

Definition at line 52 of file table.h.

◆ set() [2/3]

void votca::tools::Table::set	(	const Index &	i,
		const double &	x,
		const double &	y,
		const char &	flags )

inline

Definition at line 56 of file table.h.

◆ set() [3/3]

void votca::tools::Table::set	(	const Index &	i,
		const double &	x,
		const double &	y,
		const char &	flags,
		const double &	yerr )

inline

Definition at line 62 of file table.h.

◆ set_comment()

void votca::tools::Table::set_comment ( const std::string comment )

inline

Definition at line 70 of file table.h.

◆ setErrorDetails()

void votca::tools::Table::setErrorDetails ( std::string str )

inline

Definition at line 113 of file table.h.

◆ SetHasYErr()

void votca::tools::Table::SetHasYErr ( bool has_yerr )

inline

Definition at line 81 of file table.h.

◆ size()

Index votca::tools::Table::size ( ) const

inline

Definition at line 42 of file table.h.

◆ Smooth()

void votca::tools::Table::Smooth ( Index Nsmooth )

Definition at line 194 of file table.cc.

◆ x() [1/3]

Eigen::VectorXd & votca::tools::Table::x ( )

inline

Definition at line 104 of file table.h.

◆ x() [2/3]

double & votca::tools::Table::x ( Index i )

inline

Definition at line 44 of file table.h.

◆ x() [3/3]

const double & votca::tools::Table::x ( Index i ) const

inline

Definition at line 47 of file table.h.

◆ y() [1/3]

Eigen::VectorXd & votca::tools::Table::y ( )

inline

Definition at line 105 of file table.h.

◆ y() [2/3]

double & votca::tools::Table::y ( Index i )

inline

Definition at line 45 of file table.h.

◆ y() [3/3]

const double & votca::tools::Table::y ( Index i ) const

inline

Definition at line 48 of file table.h.

◆ yerr() [1/2]

Eigen::VectorXd & votca::tools::Table::yerr ( )

inline

Definition at line 107 of file table.h.

◆ yerr() [2/2]

double & votca::tools::Table::yerr ( Index i )

inline

Definition at line 50 of file table.h.

Friends And Related Symbol Documentation

◆ operator<<

std::ostream & operator<<	(	std::ostream &	out,
		const Table &	t )

friend

Definition at line 207 of file table.cc.

◆ operator>>

std::istream & operator>>	(	std::istream &	in,
		Table &	t )

friend

Definition at line 94 of file table.cc.

Member Data Documentation

◆ comment_line_

std::string votca::tools::Table::comment_line_

private

Definition at line 128 of file table.h.

◆ error_details_

std::string votca::tools::Table::error_details_ = ""

private

Definition at line 120 of file table.h.

◆ flags_

std::vector<char> votca::tools::Table::flags_

private

Definition at line 118 of file table.h.

◆ has_comment_

bool votca::tools::Table::has_comment_ = false

private

Definition at line 123 of file table.h.

◆ has_yerr_

bool votca::tools::Table::has_yerr_ = false

private

Definition at line 122 of file table.h.

◆ x_

Eigen::VectorXd votca::tools::Table::x_

private

Definition at line 116 of file table.h.

◆ y_

Eigen::VectorXd votca::tools::Table::y_

private

Definition at line 117 of file table.h.

◆ yerr_

Eigen::VectorXd votca::tools::Table::yerr_

private

Definition at line 119 of file table.h.

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

tools/include/votca/tools/table.h
tools/src/libtools/table.cc

Public Member Functions

Private Attributes

Friends

Detailed Description

Member Function Documentation

◆ clear()

◆ flags() [1/2]

◆ flags() [2/2]

◆ GenerateGridSpacing()

◆ getErrorDetails()

◆ GetHasYErr()

◆ getMaxX()

◆ getMaxY()

◆ getMinX()

◆ getMinY()

◆ Load()

◆ push_back()

◆ resize()

◆ Save()

◆ set() [1/3]

◆ set() [2/3]

◆ set() [3/3]

◆ set_comment()

◆ setErrorDetails()

◆ SetHasYErr()

◆ size()

◆ Smooth()

◆ x() [1/3]

◆ x() [2/3]

◆ x() [3/3]

◆ y() [1/3]

◆ y() [2/3]

◆ y() [3/3]

◆ yerr() [1/2]

◆ yerr() [2/2]

Friends And Related Symbol Documentation

◆ operator<<

◆ operator>>

Member Data Documentation

◆ comment_line_

◆ error_details_

◆ flags_

◆ has_comment_

◆ has_yerr_

◆ x_

◆ y_

◆ yerr_