#include <ClusterSpecs.hh>

Inheritance diagram for CASM::PeriodicMaxLengthClusterSpecs:

Detailed Description

Parameters most commonly used for periodic orbit generation

See member variables for descriptions

Definition at line 101 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
	PeriodicMaxLengthClusterSpecs (std::shared_ptr< Structure const > _shared_prim, SymGroup const &_generating_group, SiteFilterFunction const &_site_filter, std::vector< double > const &_max_length, std::vector< IntegralClusterOrbitGenerator > const &_custom_generators={})
	Constructor. More...

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

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

SiteFilterFunction	site_filter

std::vector< double >	max_length

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

Private Member Functions
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

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

◆ PeriodicMaxLengthClusterSpecs()

CASM::PeriodicMaxLengthClusterSpecs::PeriodicMaxLengthClusterSpecs	(	std::shared_ptr< Structure const >	_shared_prim,
		SymGroup const &	_generating_group,
		SiteFilterFunction const &	_site_filter,
		std::vector< double > const &	_max_length,
		std::vector< IntegralClusterOrbitGenerator > const &	_custom_generators = `{}`
	)

Constructor.

Definition at line 71 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::PeriodicMaxLengthClusterSpecs::_make_periodic_orbits ( IntegralClusterVec const & generating_elements ) const

overrideprivatevirtual

Reimplemented from CASM::ClusterSpecs.

Definition at line 97 of file ClusterSpecs.cc.

◆ _make_periodic_orbits() [2/2]

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

overrideprivatevirtual

Reimplemented from CASM::ClusterSpecs.

Definition at line 103 of file ClusterSpecs.cc.

◆ _move()

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

privatepure virtualinherited

◆ _name()

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

overrideprivatevirtual

Implements CASM::ClusterSpecs.

Definition at line 89 of file ClusterSpecs.cc.

◆ _periodicity_type()

CLUSTER_PERIODICITY_TYPE CASM::PeriodicMaxLengthClusterSpecs::_periodicity_type ( ) const

overrideprivatevirtual

Implements CASM::ClusterSpecs.

Definition at line 91 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::PeriodicMaxLengthClusterSpecs::custom_generators

Specifies particular clusters that should be used to generate orbits.

Definition at line 142 of file ClusterSpecs.hh.

◆ generating_group

SymGroup CASM::PeriodicMaxLengthClusterSpecs::generating_group

The group used to generate orbits, most commonly shared_prim->factor_group()

Definition at line 119 of file ClusterSpecs.hh.

◆ max_length

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

Specifies filter for truncating orbits, by orbit branch. The value max_length[b], is the max site-to-site distance for clusters to be included in branch b.

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) and point cluster orbits (b==1) does not matter. The presence of the value indicates that null cluster and point cluster orbits should be included.

Definition at line 139 of file ClusterSpecs.hh.

◆ method_name

const std::string CASM::PeriodicMaxLengthClusterSpecs::method_name

static

Initial value:

=

"periodic_max_length"

Definition at line 104 of file ClusterSpecs.hh.

◆ shared_prim

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

The prim.

Definition at line 115 of file ClusterSpecs.hh.

◆ site_filter

SiteFilterFunction CASM::PeriodicMaxLengthClusterSpecs::site_filter

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

Definition at line 127 of file ClusterSpecs.hh.

◆ sym_compare

PrimPeriodicSymCompare<IntegralCluster> CASM::PeriodicMaxLengthClusterSpecs::sym_compare

The comparisons used for orbit generation.

Definition at line 122 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

◆ PeriodicMaxLengthClusterSpecs()

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

◆ generating_group

◆ max_length

◆ method_name

◆ shared_prim

◆ site_filter

◆ sym_compare