#include <ClusterSpecs.hh>

Inheritance diagram for CASM::LocalMaxLengthClusterSpecs:

Detailed Description

Parameters most commonly used for local orbit generation.

Definition at line 154 of file ClusterSpecs.hh.

Public Types
typedef std::vector< IntegralCluster >	IntegralClusterVec

typedef std::vector< PrimPeriodicOrbit< IntegralCluster > >	PeriodicOrbitVec

typedef std::vector< LocalOrbit< IntegralCluster > >	LocalOrbitVec

Public Member Functions
	LocalMaxLengthClusterSpecs (std::shared_ptr< Structure const > _shared_prim, SymGroup const &_generating_group, IntegralCluster const &_phenomenal, SiteFilterFunction const &_site_filter, std::vector< double > const &_max_length, std::vector< double > const &_cutoff_radius, bool _include_phenomenal_sites, std::vector< IntegralClusterOrbitGenerator > const &_custom_generators={})

std::string	name () const
	This is the orbit generation method name. More...

CLUSTER_PERIODICITY_TYPE	periodicity_type () const

PeriodicOrbitVec	make_periodic_orbits (IntegralClusterVec const &generating_elements) const

PeriodicOrbitVec	make_periodic_orbits (std::ostream &status) const

LocalOrbitVec	make_local_orbits (IntegralClusterVec const &generating_elements) const

LocalOrbitVec	make_local_orbits (std::ostream &status) const

std::unique_ptr< Cloneable >	clone () const

std::unique_ptr< Cloneable >	move ()

Public Attributes
std::shared_ptr< Structure const >	shared_prim
	The prim. More...

SymGroup	generating_group

LocalSymCompare< IntegralCluster >	sym_compare
	The comparisons used for orbit generation. More...

IntegralCluster	phenomenal
	Phenomenal cluster, used to find local neighborhood. More...

SiteFilterFunction	site_filter

std::vector< double >	max_length

std::vector< double >	cutoff_radius

bool	include_phenomenal_sites

std::vector< IntegralClusterOrbitGenerator >	custom_generators
	Specifies particular clusters that should be used to generate orbits. More...

Static Public Attributes
static std::string const	method_name = "local_max_length"

Private Member Functions
std::string	_name () const override

CLUSTER_PERIODICITY_TYPE	_periodicity_type () const override

LocalOrbitVec	_make_local_orbits (IntegralClusterVec const &generating_elements) const override

LocalOrbitVec	_make_local_orbits (std::ostream &status) const override

virtual PeriodicOrbitVec	_make_periodic_orbits (IntegralClusterVec const &generating_elements) const

virtual PeriodicOrbitVec	_make_periodic_orbits (std::ostream &status) const

virtual Cloneable *	_clone () const =0

virtual Cloneable *	_move ()=0

Member Typedef Documentation

◆ IntegralClusterVec

typedef std::vector<IntegralCluster> CASM::ClusterSpecs::IntegralClusterVec

inherited

Definition at line 37 of file ClusterSpecs.hh.

◆ LocalOrbitVec

typedef std::vector<LocalOrbit<IntegralCluster> > CASM::ClusterSpecs::LocalOrbitVec

inherited

Definition at line 39 of file ClusterSpecs.hh.

◆ PeriodicOrbitVec

typedef std::vector<PrimPeriodicOrbit<IntegralCluster> > CASM::ClusterSpecs::PeriodicOrbitVec

inherited

Definition at line 38 of file ClusterSpecs.hh.

Constructor & Destructor Documentation

◆ LocalMaxLengthClusterSpecs()

CASM::LocalMaxLengthClusterSpecs::LocalMaxLengthClusterSpecs	(	std::shared_ptr< Structure const >	_shared_prim,
		SymGroup const &	_generating_group,
		IntegralCluster const &	_phenomenal,
		SiteFilterFunction const &	_site_filter,
		std::vector< double > const &	_max_length,
		std::vector< double > const &	_cutoff_radius,
		bool	_include_phenomenal_sites,
		std::vector< IntegralClusterOrbitGenerator > const &	_custom_generators = `{}`
	)

Definition at line 141 of file ClusterSpecs.cc.

Member Function Documentation

◆ _clone()

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

privatepure virtualinherited

◆ _make_local_orbits() [1/2]

ClusterSpecs::LocalOrbitVec CASM::LocalMaxLengthClusterSpecs::_make_local_orbits ( IntegralClusterVec const & generating_elements ) const

overrideprivatevirtual

Reimplemented from CASM::ClusterSpecs.

Definition at line 175 of file ClusterSpecs.cc.

◆ _make_local_orbits() [2/2]

ClusterSpecs::LocalOrbitVec CASM::LocalMaxLengthClusterSpecs::_make_local_orbits ( std::ostream & status ) const

overrideprivatevirtual

Reimplemented from CASM::ClusterSpecs.

Definition at line 180 of file ClusterSpecs.cc.

◆ _make_periodic_orbits() [1/2]

ClusterSpecs::PeriodicOrbitVec CASM::ClusterSpecs::_make_periodic_orbits ( IntegralClusterVec const & generating_elements ) const

privatevirtualinherited

Reimplemented in CASM::GenericPeriodicClusterSpecs, and CASM::PeriodicMaxLengthClusterSpecs.

Definition at line 40 of file ClusterSpecs.cc.

◆ _make_periodic_orbits() [2/2]

ClusterSpecs::PeriodicOrbitVec CASM::ClusterSpecs::_make_periodic_orbits ( std::ostream & status ) const

privatevirtualinherited

Reimplemented in CASM::GenericPeriodicClusterSpecs, and CASM::PeriodicMaxLengthClusterSpecs.

Definition at line 48 of file ClusterSpecs.cc.

◆ _move()

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

privatepure virtualinherited

◆ _name()

std::string CASM::LocalMaxLengthClusterSpecs::_name ( ) const

overrideprivatevirtual

Implements CASM::ClusterSpecs.

Definition at line 169 of file ClusterSpecs.cc.

◆ _periodicity_type()

CLUSTER_PERIODICITY_TYPE CASM::LocalMaxLengthClusterSpecs::_periodicity_type ( ) const

overrideprivatevirtual

Implements CASM::ClusterSpecs.

Definition at line 171 of file ClusterSpecs.cc.

◆ clone()

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

inlineinherited

Definition at line 92 of file cloneable_ptr.hh.

◆ make_local_orbits() [1/2]

ClusterSpecs::LocalOrbitVec CASM::ClusterSpecs::make_local_orbits ( IntegralClusterVec const & generating_elements ) const

inherited

Definition at line 30 of file ClusterSpecs.cc.

◆ make_local_orbits() [2/2]

ClusterSpecs::LocalOrbitVec CASM::ClusterSpecs::make_local_orbits ( std::ostream & status ) const

inherited

Definition at line 35 of file ClusterSpecs.cc.

◆ make_periodic_orbits() [1/2]

ClusterSpecs::PeriodicOrbitVec CASM::ClusterSpecs::make_periodic_orbits ( IntegralClusterVec const & generating_elements ) const

inherited

Definition at line 20 of file ClusterSpecs.cc.

◆ make_periodic_orbits() [2/2]

ClusterSpecs::PeriodicOrbitVec CASM::ClusterSpecs::make_periodic_orbits ( std::ostream & status ) const

inherited

Definition at line 25 of file ClusterSpecs.cc.

◆ move()

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

inlineinherited

Definition at line 95 of file cloneable_ptr.hh.

◆ name()

std::string CASM::ClusterSpecs::name ( ) const

inherited

This is the orbit generation method name.

Definition at line 14 of file ClusterSpecs.cc.

◆ periodicity_type()

CLUSTER_PERIODICITY_TYPE CASM::ClusterSpecs::periodicity_type ( ) const

inherited

Definition at line 16 of file ClusterSpecs.cc.

Member Data Documentation

◆ custom_generators

std::vector<IntegralClusterOrbitGenerator> CASM::LocalMaxLengthClusterSpecs::custom_generators

Specifies particular clusters that should be used to generate orbits.

Definition at line 210 of file ClusterSpecs.hh.

◆ cutoff_radius

std::vector<double> CASM::LocalMaxLengthClusterSpecs::cutoff_radius

Specifies the site-to-site cutoff radius for sites to be considered part of the local neighborhood, by orbit branch. For a site to be added to clusters in branch b it must be a distance less than cutoff_radius[b] to any site in the phenomenal cluster. The b==0 value is ignored.

Definition at line 203 of file ClusterSpecs.hh.

◆ generating_group

SymGroup CASM::LocalMaxLengthClusterSpecs::generating_group

The invariant group of the phenomenal object, used to generate local orbits

Definition at line 174 of file ClusterSpecs.hh.

◆ include_phenomenal_sites

bool CASM::LocalMaxLengthClusterSpecs::include_phenomenal_sites

If true, local clusters include phenomenal_cluster sites; otherwise they do not

Definition at line 207 of file ClusterSpecs.hh.

◆ max_length

std::vector<double> CASM::LocalMaxLengthClusterSpecs::max_length

Specifies filter for truncating orbits, by orbit branch. The value max_length[b], is the max site-to-site distance within a cluster for that cluster to be included in branch b. The b==0 value is ignored.

Notes:

The null cluster orbit must be included (max_length.size() >= 1) or the constructor will throw
The max_length value for the null cluster (b==0) does not matter. The presence of the value indicates that null cluster orbit should be included.

Definition at line 197 of file ClusterSpecs.hh.

◆ method_name

std::string const CASM::LocalMaxLengthClusterSpecs::method_name = "local_max_length"

static

Definition at line 157 of file ClusterSpecs.hh.

◆ phenomenal

IntegralCluster CASM::LocalMaxLengthClusterSpecs::phenomenal

Phenomenal cluster, used to find local neighborhood.

Definition at line 180 of file ClusterSpecs.hh.

◆ shared_prim

std::shared_ptr<Structure const> CASM::LocalMaxLengthClusterSpecs::shared_prim

The prim.

Definition at line 170 of file ClusterSpecs.hh.

◆ site_filter

SiteFilterFunction CASM::LocalMaxLengthClusterSpecs::site_filter

A filter which excludes sites that are part of the local neighborhood from being included in orbits. If site_filter(site)==true, then the site is included, else excluded.

Definition at line 185 of file ClusterSpecs.hh.

◆ sym_compare

LocalSymCompare<IntegralCluster> CASM::LocalMaxLengthClusterSpecs::sym_compare

The comparisons used for orbit generation.

Definition at line 177 of file ClusterSpecs.hh.

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

/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/clusterography/ClusterSpecs.hh
/Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/clusterography/ClusterSpecs.cc

Detailed Description

Public Types

Public Member Functions

Public Attributes

Static Public Attributes

Private Member Functions

Member Typedef Documentation

◆ IntegralClusterVec

◆ LocalOrbitVec

◆ PeriodicOrbitVec

Constructor & Destructor Documentation

◆ LocalMaxLengthClusterSpecs()

Member Function Documentation

◆ _clone()

◆ _make_local_orbits() [1/2]

◆ _make_local_orbits() [2/2]

◆ _make_periodic_orbits() [1/2]

◆ _make_periodic_orbits() [2/2]

◆ _move()

◆ _name()

◆ _periodicity_type()

◆ clone()

◆ make_local_orbits() [1/2]

◆ make_local_orbits() [2/2]

◆ make_periodic_orbits() [1/2]

◆ make_periodic_orbits() [2/2]

◆ move()

◆ name()

◆ periodicity_type()

Member Data Documentation

◆ custom_generators

◆ cutoff_radius

◆ generating_group

◆ include_phenomenal_sites

◆ max_length

◆ method_name

◆ phenomenal

◆ shared_prim

◆ site_filter

◆ sym_compare