#include <ClusterSpecs.hh>

Inheritance diagram for CASM::GenericPeriodicClusterSpecs:

Detailed Description

Parameters for the most generic orbit generation method currently implemented

Definition at line 223 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
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 ()

Private Types
typedef PrimPeriodicSymCompare< IntegralCluster >	SymCompareType

Private Member Functions
	GenericPeriodicClusterSpecs (std::string _method_name, std::shared_ptr< Structure const > _shared_prim, SymGroup const &_generating_group, SymCompareType const &_sym_compare, SiteFilterFunction _site_filter, std::vector< ClusterFilterFunction > _cluster_filter, std::vector< CandidateSitesFunction > _candidate_sites, std::vector< IntegralClusterOrbitGenerator > _custom_generators)

std::string	_name () const override

CLUSTER_PERIODICITY_TYPE	_periodicity_type () const override

PeriodicOrbitVec	_make_periodic_orbits (IntegralClusterVec const &generating_elements) const override

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

virtual LocalOrbitVec	_make_local_orbits (IntegralClusterVec const &generating_elements) const

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

virtual Cloneable *	_clone () const =0

virtual Cloneable *	_move ()=0

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

SymGroup	generating_group
	The orbit generating group. More...

SymCompareType	sym_compare
	The comparisons used for orbit generation. More...

SiteFilterFunction	site_filter

std::vector< ClusterFilterFunction >	cluster_filter

std::vector< CandidateSitesFunction >	candidate_sites

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

std::string	m_method_name

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.

◆ SymCompareType

typedef PrimPeriodicSymCompare<IntegralCluster> CASM::GenericPeriodicClusterSpecs::SymCompareType

private

Definition at line 226 of file ClusterSpecs.hh.

Constructor & Destructor Documentation

◆ GenericPeriodicClusterSpecs()

CASM::GenericPeriodicClusterSpecs::GenericPeriodicClusterSpecs	(	std::string	_method_name,
		std::shared_ptr< Structure const >	_shared_prim,
		SymGroup const &	_generating_group,
		SymCompareType const &	_sym_compare,
		SiteFilterFunction	_site_filter,
		std::vector< ClusterFilterFunction >	_cluster_filter,
		std::vector< CandidateSitesFunction >	_candidate_sites,
		std::vector< IntegralClusterOrbitGenerator >	_custom_generators
	)

private

Definition at line 215 of file ClusterSpecs.cc.

Member Function Documentation

◆ _clone()

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

privatepure virtualinherited

◆ _make_local_orbits() [1/2]

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

privatevirtualinherited

Reimplemented in CASM::GenericLocalClusterSpecs, and CASM::LocalMaxLengthClusterSpecs.

Definition at line 54 of file ClusterSpecs.cc.

◆ _make_local_orbits() [2/2]

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

privatevirtualinherited

Reimplemented in CASM::GenericLocalClusterSpecs, and CASM::LocalMaxLengthClusterSpecs.

Definition at line 62 of file ClusterSpecs.cc.

◆ _make_periodic_orbits() [1/2]

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

overrideprivatevirtual

Reimplemented from CASM::ClusterSpecs.

Definition at line 245 of file ClusterSpecs.cc.

◆ _make_periodic_orbits() [2/2]

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

overrideprivatevirtual

Reimplemented from CASM::ClusterSpecs.

Definition at line 251 of file ClusterSpecs.cc.

◆ _move()

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

privatepure virtualinherited

◆ _name()

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

overrideprivatevirtual

Implements CASM::ClusterSpecs.

Definition at line 237 of file ClusterSpecs.cc.

◆ _periodicity_type()

CLUSTER_PERIODICITY_TYPE CASM::GenericPeriodicClusterSpecs::_periodicity_type ( ) const

overrideprivatevirtual

Implements CASM::ClusterSpecs.

Definition at line 239 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

◆ candidate_sites

std::vector<CandidateSitesFunction> CASM::GenericPeriodicClusterSpecs::candidate_sites

private

For each orbit branch, a function that generates std::vector<xtal::UnitCellCoord>, a vector of all the sites which will be considered for inclusion in the orbit branch. The null orbit function, candidate_sites[0], is ignored but must be present.

Definition at line 260 of file ClusterSpecs.hh.

◆ cluster_filter

std::vector<ClusterFilterFunction> CASM::GenericPeriodicClusterSpecs::cluster_filter

private

For each orbit branch, a function implementing 'bool filter(ClusterType)', which returns false for clusters that should not be used to construct an Orbit (i.e. pair distance too large). The null orbit filter, cluster_filter[0], is ignored.

Definition at line 254 of file ClusterSpecs.hh.

◆ custom_generators

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

private

Specifies particular clusters that should be used to generate orbits.

Definition at line 263 of file ClusterSpecs.hh.

◆ generating_group

SymGroup CASM::GenericPeriodicClusterSpecs::generating_group

private

The orbit generating group.

Definition at line 240 of file ClusterSpecs.hh.

◆ m_method_name

std::string CASM::GenericPeriodicClusterSpecs::m_method_name

private

Definition at line 266 of file ClusterSpecs.hh.

◆ shared_prim

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

private

The prim.

Definition at line 237 of file ClusterSpecs.hh.

◆ site_filter

SiteFilterFunction CASM::GenericPeriodicClusterSpecs::site_filter

private

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

Definition at line 248 of file ClusterSpecs.hh.

◆ sym_compare

SymCompareType CASM::GenericPeriodicClusterSpecs::sym_compare

private

The comparisons used for orbit generation.

Definition at line 243 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

Private Types

Private Member Functions

Private Attributes

Member Typedef Documentation

◆ IntegralClusterVec

◆ LocalOrbitVec

◆ PeriodicOrbitVec

◆ SymCompareType

Constructor & Destructor Documentation

◆ GenericPeriodicClusterSpecs()

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

◆ candidate_sites

◆ cluster_filter

◆ custom_generators

◆ generating_group

◆ m_method_name

◆ shared_prim

◆ site_filter

◆ sym_compare