libcasm.mapping.mapsearch

Construct custom mapping search algorithms

Functions

make_atom_to_site_cost(…)	Returns the cost for mapping a particular atom to a particular site
make_atom_to_site_cost_future(…)	Returns the cost for mapping a particular atom to a particular site
make_superstructure_data(…)	Construct StructureSearchData for a superstructure
make_trial_translations(…)	Returns translations that bring atoms into registry with ideal superstructure sites.

Classes

AtomMappingSearchData(…)	Atom mapping-related data used for mapping searches
IsotropicAtomCost(…)	A functor for calculating the isotropic atom mapping cost
LatticeMappingSearchData(…)	Lattice mapping-related data used for mapping searches
MappingNode(…)	A node in the search for optimal structure mappings
MappingSearch(…)	Used to perform structure mapping searches
PrimSearchData(…)	Prim-related data used for mapping searches
QueueConstraints(…)	Used to constrain the structure mapping search queue
StructureSearchData(…)	Struture-related data used for mapping searches
SymmetryBreakingAtomCost(…)	A functor for calculating the symmetry-breaking atom mapping cost
WeightedTotalCost(…)	A functor for calculating the total mapping cost as a weighted average of the lattice and atom mapping costs