CASM::ClusterSymCompare< Base > Class Template Reference

#include <ClusterSymCompare.hh>

Inheritance diagram for CASM::ClusterSymCompare< Base >:

Detailed Description

template<typename Base>
class CASM::ClusterSymCompare< Base >

CRTP Base class for common cluster symmetry and comparison implementations.

ClusterSymCompare can be used for common implementations of SymCompareType methods for cluster orbits. To do so, it requires that a traits class (traits<SymCompareType>) is implemented with:

• typedef Element; // type of Cluster, ex: IntegralCluster
• typedef InvariantsType; // ex: ClusterInvariants
• static Element copy_apply(SymOp const&, Element, SymCompareType const&);
• static InvariantsType make_invariants(Element const&, SymCompareType const&);

The orbit element type, Element, is required to implement:

• 'Element::operator<(Element B)'
• 'Permutation Element::sort_permutation()'

The orbit invariants type, InvariantsType, is required to implement:

• 'CASM::compare(InvariantsType, InvariantsType, double tol)'

ClusterSymCompare itself implements:

• 'make_invariants_impl':
  • uses 'traits<SymCompareType>::make_invariants(Element, SymCompareType)'
• 'invariants_compare_impl'
  • uses 'CASM::compare(InvariantsType, InvariantsType, double tol)';
• 'compare_impl':
  • uses 'Element::operator<(Element B)'
• 'copy_apply_impl':
  • implemented by SymCompareType
  • uses 'traits<SymCompareType>::copy_apply(SymOp, Element, SymCompareType)'
• 'canonical_transform_impl':
  • uses 'Element::sort_permutation'
• 'inter_orbit_compare_impl':
  • uses the default implemented by SymCompare
  • uses invariants_compare_impl and compare_impl

The methods ClusterSymCompare implements are overriden if an implementation exists in final SymCompareType implementations.

Final SymCompareType implementations inheriting from ClusterSymCompare still require:

• spatial_prepare_impl
  • typically uses traits<SymCompareType>::position
• spatial_transform_impl
• representation_prepare_impl
  • typically uses Element::sort

Definition at line 76 of file ClusterSymCompare.hh.

Public Types
typedef Base::MostDerived	MostDerived
typedef Element	ClusterType

Public Member Functions
ClusterType	copy_apply (PermuteIterator const &permute_it, ClusterType obj) const
	Get SymOp from PermuteIterator and apply to cluster. More...

Protected Member Functions
InvariantsType	make_invariants_impl (const ClusterType &obj) const
	Make orbit invariants from one element in the orbit. More...
bool	invariants_compare_impl (const InvariantsType &A, const InvariantsType &B) const
	Orders 'prepared' elements in the same orbit. More...
bool	compare_impl (const ClusterType &A, const ClusterType &B) const
	Compares 'prepared' clusters. More...
ClusterType	copy_apply_impl (SymOp const &op, ClusterType obj) const
	Applies SymOp to cluster. More...
std::unique_ptr< SymOpRepresentation >	canonical_transform_impl (ClusterType const &obj) const
	Returns transformation that takes 'obj' to its prepared (canonical) form. More...

Member Typedef Documentation

ClusterType

template<typename Base >

typedef Element CASM::ClusterSymCompare< Base >::ClusterType

Element (of orbit) refers to Cluster, not element of Cluster

Definition at line 81 of file ClusterSymCompare.hh.

MostDerived

template<typename Base >

typedef Base::MostDerived CASM::ClusterSymCompare< Base >::MostDerived

Definition at line 78 of file ClusterSymCompare.hh.

Member Function Documentation

canonical_transform_impl()

template<typename Base >

std::unique_ptr< SymOpRepresentation > CASM::ClusterSymCompare< Base >::canonical_transform_impl ( ClusterType const &  obj ) const

protected

Returns transformation that takes 'obj' to its prepared (canonical) form.

• For now returns pointer to SymPermutation object that encodes permutation due to sorting elements

Definition at line 66 of file ClusterSymCompare_impl.hh.

compare_impl()

template<typename Base >

bool CASM::ClusterSymCompare< Base >::compare_impl ( const ClusterType &  A, const ClusterType &  B  ) const

protected

Compares 'prepared' clusters.

• Returns 'true' to indicate A < B
• Equivalence is indicated by

  !compare(A,B) && !compare(B,A) 

• Assumes elements are 'prepared' before being compared

Definition at line 46 of file ClusterSymCompare_impl.hh.

copy_apply()

template<typename Base >

ClusterSymCompare< Base >::ClusterType CASM::ClusterSymCompare< Base >::copy_apply	(	PermuteIterator const &	permute_it,
		ClusterType	obj
	)		const

Get SymOp from PermuteIterator and apply to cluster.

Definition at line 14 of file ClusterSymCompare_impl.hh.

copy_apply_impl()

template<typename Base >

ClusterSymCompare< Base >::ClusterType CASM::ClusterSymCompare< Base >::copy_apply_impl ( SymOp const &  op, ClusterType  obj  ) const

protected

Applies SymOp to cluster.

Definition at line 54 of file ClusterSymCompare_impl.hh.

invariants_compare_impl()

template<typename Base >

bool CASM::ClusterSymCompare< Base >::invariants_compare_impl ( const InvariantsType &  A, const InvariantsType &  B  ) const

protected

Orders 'prepared' elements in the same orbit.

• Returns 'true' to indicate A < B
• Equivalence is indicated by

  !compare(A,B) && !compare(B,A) 

• Assumes elements are 'prepared' before being compared Implementation:
• First compares by number of sites in cluster
• Then compare all displacements, from longest to shortest

Definition at line 35 of file ClusterSymCompare_impl.hh.

make_invariants_impl()

template<typename Base >

ClusterSymCompare< Base >::InvariantsType CASM::ClusterSymCompare< Base >::make_invariants_impl ( const ClusterType &  obj ) const

protected

Make orbit invariants from one element in the orbit.

Definition at line 22 of file ClusterSymCompare_impl.hh.

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

• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/clusterography/ClusterSymCompare.hh
• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/clusterography/ClusterSymCompare_impl.hh