gemmi::SellingVector Struct Reference

#include <cellred.hpp>

Public Member Functions
	SellingVector (const std::array< double, 6 > &s_)
	SellingVector (const Mat33 &orth)
	SellingVector (const UnitCell &u, char centring)
	SellingVector (const UnitCell &u, const SpaceGroup *sg)
double	sum_b_squared () const
bool	is_reduced (double eps=1e-9) const
bool	reduce_step (double eps=1e-9)
int	reduce (double eps=1e-9, int iteration_limit=100)
std::array< double, 6 >	g6_parameters () const
GruberVector	gruber () const
void	sort (double eps=1e-9)
std::array< double, 6 >	cell_parameters () const
UnitCell	get_cell () const

Public Attributes
std::array< double, 6 >	s

Detailed Description

Definition at line 265 of file cellred.hpp.

Constructor & Destructor Documentation

SellingVector() [1/4]

gemmi::SellingVector::SellingVector ( const std::array< double, 6 > &  s_ )

inlineexplicit

Definition at line 269 of file cellred.hpp.

SellingVector() [2/4]

gemmi::SellingVector::SellingVector ( const Mat33 &  orth )

inlineexplicit

Definition at line 271 of file cellred.hpp.

SellingVector() [3/4]

gemmi::SellingVector::SellingVector ( const UnitCell &  u, char  centring  )

inline

Definition at line 284 of file cellred.hpp.

SellingVector() [4/4]

gemmi::SellingVector::SellingVector ( const UnitCell &  u, const SpaceGroup *  sg  )

inline

Definition at line 286 of file cellred.hpp.

Member Function Documentation

sum_b_squared()

double gemmi::SellingVector::sum_b_squared ( ) const

inline

Definition at line 290 of file cellred.hpp.

is_reduced()

bool gemmi::SellingVector::is_reduced ( double  eps = 1e-9 ) const

inline

Definition at line 294 of file cellred.hpp.

reduce_step()

bool gemmi::SellingVector::reduce_step ( double  eps = 1e-9 )

inline

Definition at line 298 of file cellred.hpp.

reduce()

int gemmi::SellingVector::reduce ( double  eps = 1e-9, int  iteration_limit = 100  )

inline

Definition at line 334 of file cellred.hpp.

g6_parameters()

std::array< double, 6 > gemmi::SellingVector::g6_parameters ( ) const

inline

Definition at line 342 of file cellred.hpp.

gruber()

GruberVector gemmi::SellingVector::gruber ( ) const

inline

Definition at line 346 of file cellred.hpp.

sort()

void gemmi::SellingVector::sort ( double  eps = 1e-9 )

inline

Definition at line 349 of file cellred.hpp.

cell_parameters()

std::array< double, 6 > gemmi::SellingVector::cell_parameters ( ) const

inline

Definition at line 392 of file cellred.hpp.

get_cell()

UnitCell gemmi::SellingVector::get_cell ( ) const

inline

Definition at line 395 of file cellred.hpp.

Member Data Documentation

s

std::array<double,6> gemmi::SellingVector::s

Definition at line 267 of file cellred.hpp.

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The documentation for this struct was generated from the following file:

• /home/wojdyr/gemmi/gemmi/include/gemmi/cellred.hpp