CASM  1.1.0
A Clusters Approach to Statistical Mechanics
IntegralClusterSymCompareTraits.hh
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1 #ifndef CASM_IntegralClusterSymCompareTraits
2 #define CASM_IntegralClusterSymCompareTraits
3 
4 #include "casm/clusterography/ClusterSymCompareDecl.hh"
5 #include "casm/symmetry/OrbitDecl.hh"
6 
7 namespace CASM {
8 
9 namespace xtal {
10 class UnitCellCoord;
11 }
12 
13 class ClusterInvariants;
14 class IntegralCluster;
15 class SymOp;
16 
34 template <typename SymCompareType>
35 struct IntegralClusterSymCompareTraits {
36  using Element = IntegralCluster;
37  using InvariantsType = ClusterInvariants;
38 
40  static xtal::UnitCellCoord position(IntegralCluster const &clust,
41  SymCompareType const &sym_compare);
42 
43  static Element copy_apply(SymOp const &op, IntegralCluster const &clust,
44  SymCompareType const &sym_compare);
45 
46  static ClusterInvariants make_invariants(IntegralCluster const &clust,
47  SymCompareType const &sym_compare);
48 };
49 
50 template <>
51 struct traits<AperiodicSymCompare<IntegralCluster>>
52  : public IntegralClusterSymCompareTraits<
53  AperiodicSymCompare<IntegralCluster>> {};
54 
55 template <>
56 struct traits<PrimPeriodicSymCompare<IntegralCluster>>
57  : public IntegralClusterSymCompareTraits<
58  PrimPeriodicSymCompare<IntegralCluster>> {};
59 
60 template <>
61 struct traits<ScelPeriodicSymCompare<IntegralCluster>>
62  : public IntegralClusterSymCompareTraits<
63  ScelPeriodicSymCompare<IntegralCluster>> {};
64 
65 typedef AperiodicOrbit<IntegralCluster> AperiodicIntegralClusterOrbit;
66 typedef LocalOrbit<IntegralCluster> LocalIntegralClusterOrbit;
67 typedef PrimPeriodicOrbit<IntegralCluster> PrimPeriodicIntegralClusterOrbit;
68 typedef ScelPeriodicOrbit<IntegralCluster> ScelPeriodicIntegralClusterOrbit;
69 
70 } // namespace CASM
71 
72 #endif
CASM::AperiodicSymCompare
Template class to be specialized for comparisons with aperiodic symmetry.
Definition: ClusterSymCompareDecl.hh:22
CASM::ClusterInvariants
Stores cluster invariants: number of sites and site distances.
Definition: ClusterInvariants.hh:29
CASM::Orbit
An Orbit of Element.
Definition: Orbit.hh:43
CASM::PrimPeriodicSymCompare
Template class to be specialized for comparisons with periodic symmetry of the primitive lattice.
Definition: ClusterSymCompareDecl.hh:30
CASM::ScelPeriodicSymCompare
Template class to be specialized for comparisons with periodic symmetry of the supercell lattice.
Definition: ClusterSymCompareDecl.hh:35
CASM::SymOp
SymOp is the Coordinate representation of a symmetry operation it keeps fraction (FRAC) and Cartesian...
Definition: SymOp.hh:28
CASM::xtal::UnitCellCoord
Unit Cell Coordinates.
Definition: UnitCellCoord.hh:121
CASM
Main CASM namespace.
Definition: APICommand.hh:8
CASM::PrimPeriodicIntegralClusterOrbit
PrimPeriodicOrbit< IntegralCluster > PrimPeriodicIntegralClusterOrbit
Definition: IntegralClusterSymCompareTraits.hh:67
CASM::ScelPeriodicIntegralClusterOrbit
ScelPeriodicOrbit< IntegralCluster > ScelPeriodicIntegralClusterOrbit
Definition: IntegralClusterSymCompareTraits.hh:68
CASM::AperiodicIntegralClusterOrbit
AperiodicOrbit< IntegralCluster > AperiodicIntegralClusterOrbit
Definition: IntegralClusterSymCompareTraits.hh:65
CASM::LocalIntegralClusterOrbit
LocalOrbit< IntegralCluster > LocalIntegralClusterOrbit
Definition: IntegralClusterSymCompareTraits.hh:66
CASM::IntegralClusterSymCompareTraits::position
static xtal::UnitCellCoord position(IntegralCluster const &clust, SymCompareType const &sym_compare)
Returns clust[0].
Definition: IntegralClusterSymCompareTraits_impl.hh:12
CASM::IntegralClusterSymCompareTraits::make_invariants
static ClusterInvariants make_invariants(IntegralCluster const &clust, SymCompareType const &sym_compare)
Definition: IntegralClusterSymCompareTraits_impl.hh:26
CASM::IntegralClusterSymCompareTraits::copy_apply
static Element copy_apply(SymOp const &op, IntegralCluster const &clust, SymCompareType const &sym_compare)
Definition: IntegralClusterSymCompareTraits_impl.hh:18