CASM::DoFIsEquivalent Class Reference

#include <DoFIsEquivalent.hh>

Detailed Description

Class for checking equivalence of two DoFSet objects, with respect to symmetry transformations.

DoFSets dofA and dofB are considered equivalent if

• dofA.type_name()==dofB.type_name() AND
• dofA.size() == dofB.size() AND
• the matrix equation dofB.basis() * U = dofA.basis() has a unique solution U

Definition at line 27 of file DoFIsEquivalent.hh.

Public Member Functions
	DoFIsEquivalent (DoFSet const &_dof, double tol=TOL)
bool	operator() (DoFSet const &_other) const
bool	operator() (xtal::SymOp const &_op) const
	returns true if copy_apply(_op,m_dof.basis()) = m_dof.basis()*U More...
bool	operator() (xtal::SymOp const &_op, DoFSet const &_other) const
	returns true if copy_apply(_op,m_dof.basis()) = _other.basis()*U More...
Eigen::MatrixXd const &	U () const

Private Member Functions
bool	_label_equiv (DoFSet const &_other) const
	returns true if m_dof and _other are same type and same size More...
bool	_vector_equiv (Eigen::Ref< const Eigen::MatrixXd > const &_before_basis, Eigen::Ref< const Eigen::MatrixXd > const &_after_basis) const

Private Attributes
DoFSet	m_dof
double	m_tol
Eigen::MatrixXd	m_U

Constructor & Destructor Documentation

DoFIsEquivalent()

CASM::DoFIsEquivalent::DoFIsEquivalent ( DoFSet const &  _dof, double  tol = TOL  )

inline

Definition at line 29 of file DoFIsEquivalent.hh.

Member Function Documentation

_label_equiv()

bool CASM::DoFIsEquivalent::_label_equiv ( DoFSet const &  _other ) const

private

returns true if m_dof and _other are same type and same size

Definition at line 33 of file DoFIsEquivalent.cc.

_vector_equiv()

bool CASM::DoFIsEquivalent::_vector_equiv ( Eigen::Ref< const Eigen::MatrixXd > const &  _before_basis, Eigen::Ref< const Eigen::MatrixXd > const &  _after_basis  ) const

private

returns true if the matrix equation _before_basis * U = _after_basis has a unique solution U stores solution in m_U

Definition at line 37 of file DoFIsEquivalent.cc.

operator()() [1/3]

bool CASM::DoFIsEquivalent::operator()

(

DoFSet const &

_other

)

const

returns true if m_dof and _other have matching labels, and m_dof.basis() = _other.basis()*U

Definition at line 9 of file DoFIsEquivalent.cc.

operator()() [2/3]

bool CASM::DoFIsEquivalent::operator()

(

xtal::SymOp const &

_op

)

const

returns true if copy_apply(_op,m_dof.basis()) = m_dof.basis()*U

Definition at line 13 of file DoFIsEquivalent.cc.

operator()() [3/3]

bool CASM::DoFIsEquivalent::operator()	(	xtal::SymOp const &	_op,
		DoFSet const &	_other
	)		const

returns true if copy_apply(_op,m_dof.basis()) = _other.basis()*U

Definition at line 22 of file DoFIsEquivalent.cc.

U()

Eigen::MatrixXd const& CASM::DoFIsEquivalent::U ( ) const

inline

return transformation matrix U calculated during last successful comparison

Definition at line 44 of file DoFIsEquivalent.hh.

Member Data Documentation

m_dof

DoFSet CASM::DoFIsEquivalent::m_dof

private

Definition at line 56 of file DoFIsEquivalent.hh.

m_tol

double CASM::DoFIsEquivalent::m_tol

private

Definition at line 58 of file DoFIsEquivalent.hh.

m_U

Eigen::MatrixXd CASM::DoFIsEquivalent::m_U

mutableprivate

Definition at line 60 of file DoFIsEquivalent.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/basis_set/DoFIsEquivalent.hh
• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/basis_set/DoFIsEquivalent.cc