#include <HasCanonicalForm.hh>
Inheritance diagram for CASM::SupercellCanonicalForm< Base >:
Detailed Description
template<typename Base>
class CASM::SupercellCanonicalForm< Base >
Supercell canonical form finding is a special case that returns references to Supercell in the Database<Supercell>
Definition at line 200 of file HasCanonicalForm.hh.
Public Member Functions | |
| SupercellCanonicalForm () | |
| bool | is_canonical () const |
| True if lattice().is_canonical(g), where g is the prim().point_group() More... | |
| SymOp | to_canonical () const |
| SymOp | from_canonical () const |
| The inverse of to_canonical() More... | |
| xtal::Lattice | canonical_lattice () const |
| Return canonical equivalent lattice. More... | |
| const Supercell & | canonical_form () const |
| Return canonical equivalent Supercell. More... | |
| template<typename PermuteIteratorIt > | |
| std::vector< PermuteIterator > | invariant_subgroup (const Supercell &scel_B, PermuteIteratorIt begin, PermuteIteratorIt end) |
| Construct the subgroup of permutations that leaves a Supercell unchanged. More... | |
Private Attributes | |
| const Supercell * | m_canonical |
| Store a pointer to the canonical equivalent Supercell. More... | |
Constructor & Destructor Documentation
◆ SupercellCanonicalForm()
|
inline |
Definition at line 204 of file HasCanonicalForm.hh.
Member Function Documentation
◆ canonical_form()
| const Supercell & CASM::SupercellCanonicalForm< Base >::canonical_form |
Return canonical equivalent Supercell.
- Will be inserted in Database if necessary
Definition at line 353 of file HasCanonicalForm_impl.hh.
◆ canonical_lattice()
| Lattice CASM::SupercellCanonicalForm< Base >::canonical_lattice |
Return canonical equivalent lattice.
Definition at line 346 of file HasCanonicalForm_impl.hh.
◆ from_canonical()
| SymOp CASM::SupercellCanonicalForm< Base >::from_canonical |
The inverse of to_canonical()
Definition at line 341 of file HasCanonicalForm_impl.hh.
◆ invariant_subgroup()
| std::vector< PermuteIterator > CASM::SupercellCanonicalForm< Base >::invariant_subgroup | ( | const Supercell & | scel_B, |
| PermuteIteratorIt | begin, | ||
| PermuteIteratorIt | end | ||
| ) |
Construct the subgroup of permutations that leaves a Supercell unchanged.
- Parameters
-
scel_B Supercell associated with the supergroup [begin, end) begin,end Range of PermuteIterator describing the supergroup
- 'this' Supercell should be a supercell of (or the same as) scel_B
Definition at line 369 of file HasCanonicalForm_impl.hh.
◆ is_canonical()
| bool CASM::SupercellCanonicalForm< Base >::is_canonical |
True if lattice().is_canonical(g), where g is the prim().point_group()
Definition at line 328 of file HasCanonicalForm_impl.hh.
◆ to_canonical()
| SymOp CASM::SupercellCanonicalForm< Base >::to_canonical |
The first SymOp in the derived().prim().point_group() for which: derived().lattice().is_equivalent(op, canonical_form().lattice())) == true,
Definition at line 334 of file HasCanonicalForm_impl.hh.
Member Data Documentation
◆ m_canonical
|
mutableprivate |
Store a pointer to the canonical equivalent Supercell.
Definition at line 234 of file HasCanonicalForm.hh.
The documentation for this class was generated from the following files:
- /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/clex/HasCanonicalForm.hh
- /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/clex/HasCanonicalForm_impl.hh
