#include <ClusterInvariants.hh>

Inheritance diagram for CASM::WithinScelClusterInvariants:

Detailed Description

Stores cluster invariants: number of sites and site distances (using robust_min_dist)

Default expects (as for CoordCluster):

ClusterType::size()
ClusterType::coordinate(size_type index)

CASM::Monte::size_type
Index size_type
Definition: MonteDefinitions.hh:11

Definition at line 68 of file ClusterInvariants.hh.

Public Member Functions
	WithinScelClusterInvariants (IntegralCluster const &cluster, Eigen::Matrix3l const &transf_mat)
	Construct and calculate cluster invariants, using robust_min_dist in the supercell lattice. More...

int	size () const
	Number of elements in the cluster. More...

std::vector< double > const &	displacement () const
	const Access displacements between coordinates in the cluster, sorted in ascending order, calculated using robust_min_dist in the supercell lattice More...

std::unique_ptr< Cloneable >	clone () const

std::unique_ptr< Cloneable >	move ()

Private Member Functions
virtual Cloneable *	_clone () const =0

virtual Cloneable *	_move ()=0

Private Attributes
int	m_size
	Number of UnitCellCoords in cluster. More...

std::vector< double >	m_disp
	Displacement between each pair of UnitCellCoords, sorted in ascending order. More...

Constructor & Destructor Documentation

◆ WithinScelClusterInvariants()

CASM::WithinScelClusterInvariants::WithinScelClusterInvariants	(	IntegralCluster const &	cluster,
		Eigen::Matrix3l const &	transf_mat
	)

explicit

Construct and calculate cluster invariants, using robust_min_dist in the supercell lattice.

Supercell lattice to use for periodic min dist

Definition at line 79 of file ClusterInvariants.cc.

Member Function Documentation

◆ _clone()

virtual Cloneable* notstd::Cloneable::_clone ( ) const

privatepure virtualinherited

◆ _move()

virtual Cloneable* notstd::Cloneable::_move ( )

privatepure virtualinherited

◆ clone()

std::unique_ptr<Cloneable> notstd::Cloneable::clone ( ) const

inlineinherited

Definition at line 92 of file cloneable_ptr.hh.

◆ displacement()

std::vector< double > const & CASM::WithinScelClusterInvariants::displacement ( ) const

const Access displacements between coordinates in the cluster, sorted in ascending order, calculated using robust_min_dist in the supercell lattice

const Access displacements between coordinates in the cluster, sorted in ascending order

Definition at line 108 of file ClusterInvariants.cc.

◆ move()

std::unique_ptr<Cloneable> notstd::Cloneable::move ( )

inlineinherited

Definition at line 95 of file cloneable_ptr.hh.

◆ size()

int CASM::WithinScelClusterInvariants::size ( ) const

Number of elements in the cluster.

Definition at line 104 of file ClusterInvariants.cc.

Member Data Documentation

◆ m_disp

std::vector<double> CASM::WithinScelClusterInvariants::m_disp

private

Displacement between each pair of UnitCellCoords, sorted in ascending order.

Definition at line 90 of file ClusterInvariants.hh.

◆ m_size

int CASM::WithinScelClusterInvariants::m_size