ConfigMapping.hh File Reference

#include "casm/clex/Configuration.hh"
#include "casm/crystallography/BasicStructure.hh"
#include "casm/crystallography/SimpleStrucMapCalculator.hh"
#include "casm/crystallography/StrucMapping.hh"
#include "casm/global/definitions.hh"
#include "casm/misc/CASM_math.hh"

Go to the source code of this file.

Classes
struct	CASM::ConfigMapping::Settings
	Struct with optional parameters for Config Mapping Specifies default parameters for all values, in order to simplify parsing from JSON. More...
class	CASM::PrimStrucMapCalculator
struct	CASM::ConfigMapperResult
	Data structure holding results of ConfigMapper algorithm. More...
struct	CASM::ConfigMapperResult::Individual
class	CASM::ConfigMapper

Namespaces
	CASM
	Main CASM namespace.
	CASM::xtal
	CASM::ConfigMapping

Functions
MappingNode	CASM::copy_apply (PermuteIterator const &_it, MappingNode const &_node, bool transform_cost_mat=true)
	Reorders the permutation and compounds the spatial isometry (rotation. More...
std::pair< ConfigDoF, std::set< std::string > >	CASM::to_configdof (SimpleStructure const &_child_struc, Supercell const &_scel)
	Initializes configdof of Supercell '_scel' corresponding to an idealized child structure (encoded by _child_struc) _child_struc is assumed to have been idealized via structure-mapping or to be the result of converting a configuration to a SimpleStructure. result.second gives list of properties that were utilized in the course of building the configdof. More...