Functions
std::string	clexulator_member_declarations (std::string const &class_name, ClexBasis const &clex, ParamPackMixIn const &_param_pack_mix_in, std::vector< std::unique_ptr< OrbitFunctionTraits > > const &orbit_func_traits, Index N_flower, std::string const &indent)

std::string	clexulator_private_method_declarations (std::string const &class_name, ClexBasis const &clex, std::string const &indent)

std::string	clexulator_public_method_declarations (std::string const &class_name, ClexBasis const &clex, std::string const &indent)

template<typename OrbitType >
std::tuple< std::string, std::string >	clexulator_orbit_function_strings (std::string const &class_name, ClexBasis::BSetOrbit const &_bset_orbit, OrbitType const &_clust_orbit, std::function< std::string(Index, Index)> method_namer, PrimNeighborList &_nlist, std::vector< std::unique_ptr< FunctionVisitor > > const &visitors, std::string const &indent)

template<typename OrbitType >
std::tuple< std::string, std::string >	clexulator_flower_function_strings (std::string const &class_name, ClexBasis::BSetOrbit const &_bset_orbit, OrbitType const &_clust_orbit, std::function< std::string(Index, Index)> method_namer, std::map< UnitCellCoord, std::set< UnitCellCoord > > const &_nhood, PrimNeighborList &_nlist, std::vector< std::unique_ptr< FunctionVisitor > > const &visitor, std::string const &indent)
	Print the flower function formulae for orbit. More...

template<typename OrbitType >
std::tuple< std::string, std::string >	clexulator_dflower_function_strings (std::string const &class_name, ClexBasis::BSetOrbit const &_bset_orbit, ClexBasis::BSetOrbit const &_site_bases, OrbitType const &_clust_orbit, std::function< std::string(Index, Index)> method_namer, std::map< UnitCellCoord, std::set< UnitCellCoord > > const &_nhood, PrimNeighborList &_nlist, std::vector< std::unique_ptr< FunctionVisitor > > const &visitors, FunctionVisitor const &prefactor_labeler, std::string const &indent)

std::string	clexulator_interface_declaration (std::string const &class_name, ClexBasis const &clex, ParamPackMixIn const &_param_pack_mix_in, std::string const &indent)

template<typename OrbitType >
std::string	clexulator_constructor_definition (std::string const &class_name, ClexBasis const &clex, std::vector< OrbitType > const &_tree, std::map< UnitCellCoord, std::set< UnitCellCoord > > const &_nhood, PrimNeighborList &_nlist, ParamPackMixIn const &_param_pack_mix_in, std::vector< std::string > const &orbit_method_names, std::vector< std::vector< std::string > > const &flower_method_names, std::vector< std::vector< std::string > > const &dflower_method_names, std::string const &indent)

template<typename OrbitType >
std::string	clexulator_point_prepare_definition (std::string const &class_name, ClexBasis const &clex, std::vector< OrbitType > const &_tree, std::vector< std::unique_ptr< OrbitFunctionTraits > > const &orbit_func_traits, std::map< UnitCellCoord, std::set< UnitCellCoord > > const &_nhood, PrimNeighborList &_nlist, std::string const &indent)

template<typename OrbitType >
std::string	clexulator_global_prepare_definition (std::string const &class_name, ClexBasis const &clex, std::vector< OrbitType > const &_tree, std::vector< std::unique_ptr< OrbitFunctionTraits > > const &orbit_func_traits, std::map< UnitCellCoord, std::set< UnitCellCoord > > const &_nhood, PrimNeighborList &_nlist, std::string const &indent)

template<typename OrbitType >
std::vector< std::string >	orbit_function_cpp_strings (ClexBasis::BSetOrbit _bset_orbit, OrbitType const &_clust_orbit, PrimNeighborList &_nlist, std::vector< std::unique_ptr< FunctionVisitor > > const &visitors)

template<typename OrbitType >
std::vector< std::string >	flower_function_cpp_strings (ClexBasis::BSetOrbit _bset_orbit, std::function< BasisSet(BasisSet const &)> _bset_transform, OrbitType const &_clust_orbit, std::map< UnitCellCoord, std::set< UnitCellCoord > > const &_nhood, PrimNeighborList &_nlist, std::vector< std::unique_ptr< FunctionVisitor > > const &_visitors, UnitCellCoord const &_nbor)
	nlist_index is the index of the basis site in the neighbor list More...

template<typename OrbitType >
void	print_proto_clust_funcs (ClexBasis const &clex, std::ostream &out, std::vector< OrbitType > const &_tree)

template<typename OrbitIterType >
std::map< UnitCellCoord, std::set< UnitCellCoord > >	dependency_neighborhood (OrbitIterType begin, OrbitIterType end)

template<typename UCCIterType , typename IntegralClusterSymCompareType >
std::set< UnitCellCoord >	equiv_ucc (UCCIterType begin, UCCIterType end, UnitCellCoord const &_pivot, Structure const &_prim, IntegralClusterSymCompareType const &_sym_compare)

Function Documentation

◆ clexulator_constructor_definition()

template<typename OrbitType >

std::string CASM::ClexBasisWriter_impl::clexulator_constructor_definition	(	std::string const &	class_name,
		ClexBasis const &	clex,
		std::vector< OrbitType > const &	_tree,
		std::map< UnitCellCoord, std::set< UnitCellCoord > > const &	_nhood,
		PrimNeighborList &	_nlist,
		ParamPackMixIn const &	_param_pack_mix_in,
		std::vector< std::string > const &	orbit_method_names,
		std::vector< std::vector< std::string > > const &	flower_method_names,
		std::vector< std::vector< std::string > > const &	dflower_method_names,
		std::string const &	indent
	)

Definition at line 710 of file ClexBasisWriter_impl.hh.

◆ clexulator_dflower_function_strings()

template<typename OrbitType >

std::tuple< std::string, std::string > CASM::ClexBasisWriter_impl::clexulator_dflower_function_strings	(	std::string const &	class_name,
		ClexBasis::BSetOrbit const &	_bset_orbit,
		ClexBasis::BSetOrbit const &	_site_bases,
		OrbitType const &	_clust_orbit,
		std::function< std::string(Index, Index)>	method_namer,
		std::map< UnitCellCoord, std::set< UnitCellCoord > > const &	_nhood,
		PrimNeighborList &	_nlist,
		std::vector< std::unique_ptr< FunctionVisitor > > const &	visitors,
		FunctionVisitor const &	prefactor_labeler,
		std::string const &	indent
	)

Definition at line 351 of file ClexBasisWriter_impl.hh.

◆ clexulator_flower_function_strings()

template<typename OrbitType >

std::tuple< std::string, std::string > CASM::ClexBasisWriter_impl::clexulator_flower_function_strings	(	std::string const &	class_name,
		ClexBasis::BSetOrbit const &	_bset_orbit,
		OrbitType const &	_clust_orbit,
		std::function< std::string(Index, Index)>	method_namer,
		std::map< UnitCellCoord, std::set< UnitCellCoord > > const &	_nhood,
		PrimNeighborList &	_nlist,
		std::vector< std::unique_ptr< FunctionVisitor > > const &	visitor,
		std::string const &	indent
	)

Print the flower function formulae for orbit.

Parameters

_clust_orbit	specified by BasisSet
_bset_orbit	The pivot of the flower is specified by
_sublat_index	The flower function of site
_sublat_index	and orbit
_clust_orbit	is obtained by summing the contributions of all cluster functions from
_bset_orbit	that 'touch' the site (b,i,j,k)=(sublat_index,0,0,0), including functions that are found by translations of equivalent clusters in
_clust_orbit.	Depending on the orbit periodicity (i.e., Orbit::sym_compare()), not all translations of the cluster that touch (sublat_index,0,0,0) are translationally equivalent. Thus, the result is the std::map that associates UnitCell (i.e, translation) to a set of formulae, (i.e., std::vector<std::string>), with one formula per function in _clust_orbit[i] (some or all formulae may evaluate to zero, if if
_clust_orbit	doesn't include site of type
_sublat_index.
_bset_transfrom	is a function/functor that applies a transformation to each _bset_orbit[i].
_nlist	is the PrimNeighborList, used to index sites in the neighborhood
_labelers	is a set of FunctionVisitors that can be used to control formatting of the formulae

Definition at line 302 of file ClexBasisWriter_impl.hh.

◆ clexulator_global_prepare_definition()

template<typename OrbitType >

std::string CASM::ClexBasisWriter_impl::clexulator_global_prepare_definition	(	std::string const &	class_name,
		ClexBasis const &	clex,
		std::vector< OrbitType > const &	_tree,
		std::vector< std::unique_ptr< OrbitFunctionTraits > > const &	orbit_func_traits,
		std::map< UnitCellCoord, std::set< UnitCellCoord > > const &	_nhood,
		PrimNeighborList &	_nlist,
		std::string const &	indent
	)

Definition at line 949 of file ClexBasisWriter_impl.hh.

◆ clexulator_interface_declaration()

std::string CASM::ClexBasisWriter_impl::clexulator_interface_declaration	(	std::string const &	class_name,
		ClexBasis const &	clex,
		ParamPackMixIn const &	_param_pack_mix_in,
		std::string const &	indent
	)

Definition at line 408 of file ClexBasisWriter.cc.

◆ clexulator_member_declarations()

std::string CASM::ClexBasisWriter_impl::clexulator_member_declarations	(	std::string const &	class_name,
		ClexBasis const &	clex,
		ParamPackMixIn const &	_param_pack_mix_in,
		std::vector< std::unique_ptr< OrbitFunctionTraits > > const &	orbit_func_traits,
		Index	N_flower,
		std::string const &	indent
	)

Definition at line 50 of file ClexBasisWriter.cc.

◆ clexulator_orbit_function_strings()

template<typename OrbitType >

std::tuple< std::string, std::string > CASM::ClexBasisWriter_impl::clexulator_orbit_function_strings	(	std::string const &	class_name,
		ClexBasis::BSetOrbit const &	_bset_orbit,
		OrbitType const &	_clust_orbit,
		std::function< std::string(Index, Index)>	method_namer,
		PrimNeighborList &	_nlist,
		std::vector< std::unique_ptr< FunctionVisitor > > const &	visitors,
		std::string const &	indent
	)

Definition at line 262 of file ClexBasisWriter_impl.hh.

◆ clexulator_point_prepare_definition()

template<typename OrbitType >

std::string CASM::ClexBasisWriter_impl::clexulator_point_prepare_definition	(	std::string const &	class_name,
		ClexBasis const &	clex,
		std::vector< OrbitType > const &	_tree,
		std::vector< std::unique_ptr< OrbitFunctionTraits > > const &	orbit_func_traits,
		std::map< UnitCellCoord, std::set< UnitCellCoord > > const &	_nhood,
		PrimNeighborList &	_nlist,
		std::string const &	indent
	)

Definition at line 916 of file ClexBasisWriter_impl.hh.

◆ clexulator_private_method_declarations()

std::string CASM::ClexBasisWriter_impl::clexulator_private_method_declarations	(	std::string const &	class_name,
		ClexBasis const &	clex,
		std::string const &	indent
	)

Definition at line 154 of file ClexBasisWriter.cc.

◆ clexulator_public_method_declarations()

std::string CASM::ClexBasisWriter_impl::clexulator_public_method_declarations	(	std::string const &	class_name,
		ClexBasis const &	clex,
		std::string const &	indent
	)

Definition at line 370 of file ClexBasisWriter.cc.

◆ dependency_neighborhood()

template<typename OrbitIterType >

std::map< UnitCellCoord, std::set< UnitCellCoord > > CASM::ClexBasisWriter_impl::dependency_neighborhood	(	OrbitIterType	begin,
		OrbitIterType	end
	)

Definition at line 614 of file ClexBasisWriter_impl.hh.

◆ equiv_ucc()

template<typename UCCIterType , typename IntegralClusterSymCompareType >

std::set< UnitCellCoord > CASM::ClexBasisWriter_impl::equiv_ucc	(	UCCIterType	begin,
		UCCIterType	end,
		UnitCellCoord const &	_pivot,
		Structure const &	_prim,
		IntegralClusterSymCompareType const &	_sym_compare
	)

Definition at line 669 of file ClexBasisWriter_impl.hh.

◆ flower_function_cpp_strings()

template<typename OrbitType >

std::vector< std::string > CASM::ClexBasisWriter_impl::flower_function_cpp_strings	(	ClexBasis::BSetOrbit	_bset_orbit,
		std::function< BasisSet(BasisSet const &)>	_bset_transform,
		OrbitType const &	_clust_orbit,
		std::map< UnitCellCoord, std::set< UnitCellCoord > > const &	_nhood,
		PrimNeighborList &	_nlist,
		std::vector< std::unique_ptr< FunctionVisitor > > const &	_visitors,
		UnitCellCoord const &	_nbor
	)

nlist_index is the index of the basis site in the neighbor list

For each equivalent ucc that is in the equivalent cluster, translate the cluster so that the site coincides with nbor

Definition at line 477 of file ClexBasisWriter_impl.hh.

◆ orbit_function_cpp_strings()

template<typename OrbitType >

std::vector< std::string > CASM::ClexBasisWriter_impl::orbit_function_cpp_strings	(	ClexBasis::BSetOrbit	_bset_orbit,
		OrbitType const &	_clust_orbit,
		PrimNeighborList &	_nlist,
		std::vector< std::unique_ptr< FunctionVisitor > > const &	visitors
	)

Definition at line 436 of file ClexBasisWriter_impl.hh.

◆ print_proto_clust_funcs()

template<typename OrbitType >

void CASM::ClexBasisWriter_impl::print_proto_clust_funcs	(	ClexBasis const &	clex,
		std::ostream &	out,
		std::vector< OrbitType > const &	_tree
	)

Definition at line 556 of file ClexBasisWriter_impl.hh.

Functions

Function Documentation

◆ clexulator_constructor_definition()

◆ clexulator_dflower_function_strings()

◆ clexulator_flower_function_strings()

◆ clexulator_global_prepare_definition()

◆ clexulator_interface_declaration()

◆ clexulator_member_declarations()

◆ clexulator_orbit_function_strings()

◆ clexulator_point_prepare_definition()

◆ clexulator_private_method_declarations()

◆ clexulator_public_method_declarations()

◆ dependency_neighborhood()

◆ equiv_ucc()

◆ flower_function_cpp_strings()

◆ orbit_function_cpp_strings()

◆ print_proto_clust_funcs()