CASM  1.1.0
A Clusters Approach to Statistical Mechanics
Public Member Functions | Private Member Functions | Private Attributes | List of all members
CASM::xtal::IsPointGroupOp Class Reference

#include <LatticeIsEquivalent.hh>

Detailed Description

Checks if operations are point group operations.

Definition at line 42 of file LatticeIsEquivalent.hh.

Public Member Functions

 IsPointGroupOp (const Lattice &lat)
 
bool operator() (const SymOp &cart_op) const
 Checks if ref_lat = cart_op*ref_lat*transf_mat(), for any transf_mat() More...
 
template<typename ExternSymOp >
bool operator() (const ExternSymOp &cart_op) const
 
bool operator() (const Eigen::Matrix3d &cart_op) const
 Checks if ref_lat = cart_op*ref_lat*transf_mat(), for any transf_mat() More...
 
bool operator() (const Eigen::Matrix3i &frac_op) const
 Checks if ref_lat = (ref_lat*frac_op)*transf_mat(), for any transf_mat() More...
 
double map_error () const
 Return the mapping error, calculated after performing an equivalence check. More...
 
Eigen::Matrix3d cart_op () const
 
SymOp sym_op () const
 

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_map_error
 
Eigen::Matrix3d m_cart_op
 

Constructor & Destructor Documentation

◆ IsPointGroupOp()

CASM::xtal::IsPointGroupOp::IsPointGroupOp ( const Lattice &  lat)

Definition at line 22 of file LatticeIsEquivalent.cc.

Member Function Documentation

◆ _check()

bool CASM::xtal::IsPointGroupOp::_check ( const Eigen::Matrix3d &  tfrac_op) const
private

Find the effect of applying symmetry to the lattice vectors.

Definition at line 63 of file LatticeIsEquivalent.cc.

◆ cart_op()

Eigen::Matrix3d CASM::xtal::IsPointGroupOp::cart_op ( ) const

If evaluates true, then ref_lat == cart_op()*L*transf_mat() to the specified tolerance

Definition at line 56 of file LatticeIsEquivalent.cc.

◆ inv_lat_column_mat()

const Eigen::Matrix3d & CASM::xtal::IsPointGroupOp::inv_lat_column_mat ( ) const
private

Definition at line 96 of file LatticeIsEquivalent.cc.

◆ lat_column_mat()

const Eigen::Matrix3d & CASM::xtal::IsPointGroupOp::lat_column_mat ( ) const
private

Definition at line 92 of file LatticeIsEquivalent.cc.

◆ map_error()

double CASM::xtal::IsPointGroupOp::map_error ( ) const

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

Definition at line 54 of file LatticeIsEquivalent.cc.

◆ operator()() [1/4]

bool CASM::xtal::IsPointGroupOp::operator() ( const Eigen::Matrix3d &  cart_op) const

Checks if ref_lat = cart_op*ref_lat*transf_mat(), for any transf_mat()

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

Definition at line 30 of file LatticeIsEquivalent.cc.

◆ operator()() [2/4]

bool CASM::xtal::IsPointGroupOp::operator() ( const Eigen::Matrix3i &  frac_op) const

Checks if ref_lat = (ref_lat*frac_op)*transf_mat(), for any transf_mat()

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

Definition at line 45 of file LatticeIsEquivalent.cc.

◆ operator()() [3/4]

template<typename ExternSymOp >
bool CASM::xtal::IsPointGroupOp::operator() ( const ExternSymOp &  cart_op) const
inline

Definition at line 50 of file LatticeIsEquivalent.hh.

◆ operator()() [4/4]

bool CASM::xtal::IsPointGroupOp::operator() ( const SymOp &  cart_op) const

Checks if ref_lat = cart_op*ref_lat*transf_mat(), for any transf_mat()

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

Definition at line 25 of file LatticeIsEquivalent.cc.

◆ sym_op()

SymOp CASM::xtal::IsPointGroupOp::sym_op ( ) const

Definition at line 58 of file LatticeIsEquivalent.cc.

Member Data Documentation

◆ m_cart_op

Eigen::Matrix3d CASM::xtal::IsPointGroupOp::m_cart_op
mutableprivate

Definition at line 79 of file LatticeIsEquivalent.hh.

◆ m_lat

Lattice CASM::xtal::IsPointGroupOp::m_lat
private

Definition at line 77 of file LatticeIsEquivalent.hh.

◆ m_map_error

double CASM::xtal::IsPointGroupOp::m_map_error
mutableprivate

Definition at line 78 of file LatticeIsEquivalent.hh.

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