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_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