CASM::LatticeIsEquivalent Class Reference

#include <LatticeIsEquivalent.hh>

Detailed Description

Putting all the Lattice comparisons in one place.

Definition at line 14 of file LatticeIsEquivalent.hh.

Public Member Functions
	LatticeIsEquivalent (const Lattice &lat, double _tol=TOL)
bool	operator() (const Lattice &B) const
	Is this lattice the same, even if they have different lattice vectors. More...
bool	operator() (const SymOp &op) const
	Is this lattice equivalent to apply(op, *this) More...
bool	operator() (const Eigen::Matrix3d &cart_op) const
	Is this lattice equivalent to apply(op, *this) More...
bool	operator() (const Eigen::Matrix3i &tfrac_op) const
	Is this lattice equivalent to apply(op, *this) More...
const Lattice &	lat () const
double	map_error () const
	Return the mapping error, calculated after performing an equivalence check. More...
Eigen::Matrix3d	cart_op () const
	Return the cartesian SymOp matrix, stored after performing an equivalence check. More...
SymOp	sym_op () const
	Return the SymOp, constructed from the map_error and cart_op stored after performing an equivalence check. More...

Private Member Functions
bool	_check (const Eigen::Matrix3d &tfrac_op) const
	Find the effect of applying symmetry to the lattice vectors. More...
const Eigen::Matrix3d &	lat_column_mat () const
const Eigen::Matrix3d &	inv_lat_column_mat () const

Private Attributes
Lattice	m_lat
double	m_tol
double	m_map_error
Eigen::Matrix3d	m_cart_op

Constructor & Destructor Documentation

CASM::LatticeIsEquivalent::LatticeIsEquivalent	(	const Lattice &	lat,
		double	_tol = TOL
	)

Definition at line 7 of file LatticeIsEquivalent.cc.

Member Function Documentation

bool CASM::LatticeIsEquivalent::_check ( const Eigen::Matrix3d &  tfrac_op ) const

private

Find the effect of applying symmetry to the lattice vectors.

Definition at line 71 of file LatticeIsEquivalent.cc.

Eigen::Matrix3d CASM::LatticeIsEquivalent::cart_op

(

)

const

Return the cartesian SymOp matrix, stored after performing an equivalence check.

Definition at line 62 of file LatticeIsEquivalent.cc.

const Eigen::Matrix3d & CASM::LatticeIsEquivalent::inv_lat_column_mat ( ) const

private

Definition at line 100 of file LatticeIsEquivalent.cc.

const Lattice & CASM::LatticeIsEquivalent::lat

(

)

const

Definition at line 54 of file LatticeIsEquivalent.cc.

const Eigen::Matrix3d & CASM::LatticeIsEquivalent::lat_column_mat ( ) const

private

Definition at line 96 of file LatticeIsEquivalent.cc.

double CASM::LatticeIsEquivalent::map_error

(

)

const

Return the mapping error, calculated after performing an equivalence check.

Definition at line 58 of file LatticeIsEquivalent.cc.

bool CASM::LatticeIsEquivalent::operator()

(

const Lattice &

B

)

const

Is this lattice the same, even if they have different lattice vectors.

Definition at line 12 of file LatticeIsEquivalent.cc.

bool CASM::LatticeIsEquivalent::operator()

(

const SymOp &

op

)

const

Is this lattice equivalent to apply(op, *this)

Definition at line 18 of file LatticeIsEquivalent.cc.

bool CASM::LatticeIsEquivalent::operator()

(

const Eigen::Matrix3d &

cart_op

)

const

Is this lattice equivalent to apply(op, *this)

Definition at line 23 of file LatticeIsEquivalent.cc.

bool CASM::LatticeIsEquivalent::operator()

(

const Eigen::Matrix3i &

tfrac_op

)

const

Is this lattice equivalent to apply(op, *this)

Definition at line 44 of file LatticeIsEquivalent.cc.

SymOp CASM::LatticeIsEquivalent::sym_op

(

)

const

Return the SymOp, constructed from the map_error and cart_op stored after performing an equivalence check.

Definition at line 66 of file LatticeIsEquivalent.cc.

Member Data Documentation

Eigen::Matrix3d CASM::LatticeIsEquivalent::m_cart_op

mutableprivate

Definition at line 56 of file LatticeIsEquivalent.hh.

Lattice CASM::LatticeIsEquivalent::m_lat

private

Definition at line 53 of file LatticeIsEquivalent.hh.

double CASM::LatticeIsEquivalent::m_map_error

mutableprivate

Definition at line 55 of file LatticeIsEquivalent.hh.

double CASM::LatticeIsEquivalent::m_tol

private

Definition at line 54 of file LatticeIsEquivalent.hh.

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

• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/crystallography/LatticeIsEquivalent.hh
• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/crystallography/LatticeIsEquivalent.cc