CASM  1.1.0
A Clusters Approach to Statistical Mechanics
CASM::DoF_impl::MagSpinDoFTraits Class Reference

#include <MagSpinDoFTraits.hh>

+ Inheritance diagram for CASM::DoF_impl::MagSpinDoFTraits:

Detailed Description

Definition at line 26 of file MagSpinDoFTraits.hh.

Public Member Functions

 MagSpinDoFTraits (std::string const &flavor_name)
 
std::vector< BasisSetconstruct_site_bases (Structure const &_prim, std::vector< Orbit< PrimPeriodicSymCompare< IntegralCluster > > > &_asym_unit, BasisFunctionSpecs const &_basis_function_specs) const override
 Construct the site basis (if DOF_MODE is LOCAL) for a DoF, given its site. More...
 
void parse_dof_specs (InputParser< BasisFunctionSpecs > &parser, Structure const &prim) const override
 
void dof_specs_to_json (BasisFunctionSpecs const &basis_function_specs, jsonParser &json, Structure const &prim) const override
 Output DoF-specific basis function specs to json. Default does nothing. More...
 
AnisoValTraits const & val_traits () const
 
std::string const & name () const
 
std::string site_basis_name () const
 
bool requires_site_basis () const
 
virtual std::pair< Eigen::MatrixXd, std::set< std::string > > find_values (std::map< std::string, Eigen::MatrixXd > const &values) const
 Retrieve the standard values for a DoF from dictionary of properties from properties.calc.json Returns matrix with standard values, and names of properties that were used to construct the matrix. More...
 
virtual void from_json (DoFSet &_in, jsonParser const &_json) const
 Populate. More...
 
virtual void to_json (DoFSet const &_out, jsonParser &_json) const
 Output. More...
 
virtual void apply_dof (ConfigDoF const &_dof, BasicStructure const &_reference, SimpleStructure &_struc) const
 Transforms SimpleSructure. More...
 
virtual jsonParser dof_to_json (ConfigDoF const &_dof, BasicStructure const &_reference) const
 Serialize type-specific DoF values from ConfigDoF. More...
 
virtual std::vector< std::unique_ptr< FunctionVisitor > > site_function_visitors (std::string const &nlist_specifier="%n") const
 
virtual std::vector< std::unique_ptr< FunctionVisitor > > clust_function_visitors () const
 
virtual std::string site_basis_description (BasisSet site_bset, Site site, Index site_ix) const
 
virtual std::vector< ParamAllocation > param_pack_allocation (Structure const &_prim, std::vector< BasisSet > const &_bases) const
 
virtual std::string clexulator_constructor_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const
 
virtual std::string clexulator_point_prepare_string (Structure const &_prim, std::map< UnitCellCoord, std::set< UnitCellCoord > > const &_nhood, PrimNeighborList &_nlist, std::vector< BasisSet > const &site_bases, std::string const &indent) const
 
virtual std::string clexulator_global_prepare_string (Structure const &_prim, std::map< UnitCellCoord, std::set< UnitCellCoord > > const &_nhood, PrimNeighborList &_nlist, std::vector< BasisSet > const &site_bases, std::string const &indent) const
 
virtual std::string clexulator_member_declarations_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const
 
virtual std::string clexulator_private_method_declarations_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const
 
virtual std::string clexulator_public_method_declarations_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const
 
virtual std::string clexulator_private_method_definitions_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const
 
virtual std::string clexulator_public_method_definitions_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const
 
std::unique_ptr< Traitsclone () const
 non-virtual method to obtain copy through Traits pointer More...
 

Static Public Member Functions

static std::string class_desc ()
 

Protected Member Functions

DoFType::Traits_clone () const override
 

Private Attributes

AnisoValTraits m_val_traits
 
bool m_requires_site_basis
 

Constructor & Destructor Documentation

◆ MagSpinDoFTraits()

CASM::DoF_impl::MagSpinDoFTraits::MagSpinDoFTraits ( std::string const &  flavor_name)
inline

Definition at line 32 of file MagSpinDoFTraits.hh.

Member Function Documentation

◆ _clone()

DoFType::Traits* CASM::DoF_impl::MagSpinDoFTraits::_clone ( ) const
inlineoverrideprotectedvirtual

Implements CASM::DoFType::Traits.

Definition at line 50 of file MagSpinDoFTraits.hh.

◆ apply_dof()

void CASM::DoFType::Traits::apply_dof ( ConfigDoF const &  _dof,
BasicStructure const &  _reference,
SimpleStructure _struc 
) const
virtualinherited

Transforms SimpleSructure.

Parameters
_strucby applying DoF values contained in
_dofin a type-specific way

Reimplemented in CASM::DoF_impl::StrainDoFTraits, and CASM::DoF_impl::DisplacementDoFTraits.

Definition at line 99 of file DoFTraits.cc.

◆ class_desc()

static std::string CASM::DoFType::Traits::class_desc ( )
inlinestaticinherited

Definition at line 61 of file DoFTraits.hh.

◆ clexulator_constructor_string()

std::string CASM::DoFType::Traits::clexulator_constructor_string ( Structure const &  _prim,
std::vector< BasisSet > const &  site_bases,
std::string const &  indent 
) const
virtualinherited

Reimplemented in CASM::DoF_impl::OccupationDoFTraits.

Definition at line 479 of file DoFTraits.cc.

◆ clexulator_global_prepare_string()

std::string CASM::DoFType::Traits::clexulator_global_prepare_string ( Structure const &  _prim,
std::map< UnitCellCoord, std::set< UnitCellCoord > > const &  _nhood,
PrimNeighborList _nlist,
std::vector< BasisSet > const &  site_bases,
std::string const &  indent 
) const
virtualinherited

Definition at line 200 of file DoFTraits.cc.

◆ clexulator_member_declarations_string()

std::string CASM::DoFType::Traits::clexulator_member_declarations_string ( Structure const &  _prim,
std::vector< BasisSet > const &  site_bases,
std::string const &  indent 
) const
virtualinherited

Reimplemented in CASM::DoF_impl::OccupationDoFTraits.

Definition at line 269 of file DoFTraits.cc.

◆ clexulator_point_prepare_string()

std::string CASM::DoFType::Traits::clexulator_point_prepare_string ( Structure const &  _prim,
std::map< UnitCellCoord, std::set< UnitCellCoord > > const &  _nhood,
PrimNeighborList _nlist,
std::vector< BasisSet > const &  site_bases,
std::string const &  indent 
) const
virtualinherited

Definition at line 118 of file DoFTraits.cc.

◆ clexulator_private_method_declarations_string()

std::string CASM::DoFType::Traits::clexulator_private_method_declarations_string ( Structure const &  _prim,
std::vector< BasisSet > const &  site_bases,
std::string const &  indent 
) const
virtualinherited

Reimplemented in CASM::DoF_impl::OccupationDoFTraits.

Definition at line 331 of file DoFTraits.cc.

◆ clexulator_private_method_definitions_string()

std::string CASM::DoFType::Traits::clexulator_private_method_definitions_string ( Structure const &  _prim,
std::vector< BasisSet > const &  site_bases,
std::string const &  indent 
) const
virtualinherited

Reimplemented in CASM::DoF_impl::OccupationDoFTraits.

Definition at line 307 of file DoFTraits.cc.

◆ clexulator_public_method_declarations_string()

std::string CASM::DoFType::Traits::clexulator_public_method_declarations_string ( Structure const &  _prim,
std::vector< BasisSet > const &  site_bases,
std::string const &  indent 
) const
virtualinherited

Reimplemented in CASM::DoF_impl::OccupationDoFTraits.

Definition at line 315 of file DoFTraits.cc.

◆ clexulator_public_method_definitions_string()

std::string CASM::DoFType::Traits::clexulator_public_method_definitions_string ( Structure const &  _prim,
std::vector< BasisSet > const &  site_bases,
std::string const &  indent 
) const
virtualinherited

Reimplemented in CASM::DoF_impl::OccupationDoFTraits.

Definition at line 323 of file DoFTraits.cc.

◆ clone()

std::unique_ptr<Traits> CASM::DoFType::Traits::clone ( ) const
inlineinherited

non-virtual method to obtain copy through Traits pointer

Definition at line 188 of file DoFTraits.hh.

◆ clust_function_visitors()

std::vector< std::unique_ptr< FunctionVisitor > > CASM::DoFType::Traits::clust_function_visitors ( ) const
virtualinherited

Reimplemented in CASM::DoF_impl::OccupationDoFTraits.

Definition at line 499 of file DoFTraits.cc.

◆ construct_site_bases()

std::vector< BasisSet > CASM::DoF_impl::MagSpinDoFTraits::construct_site_bases ( Structure const &  _prim,
std::vector< Orbit< PrimPeriodicSymCompare< IntegralCluster > > > &  _asym_unit,
BasisFunctionSpecs const &  _basis_function_specs 
) const
overridevirtual

Construct the site basis (if DOF_MODE is LOCAL) for a DoF, given its site.

Implements CASM::DoFType::Traits.

Definition at line 20 of file MagSpinDoFTraits.cc.

◆ dof_specs_to_json()

void CASM::DoF_impl::MagSpinDoFTraits::dof_specs_to_json ( BasisFunctionSpecs const &  basis_function_specs,
jsonParser json,
Structure const &  prim 
) const
overridevirtual

Output DoF-specific basis function specs to json. Default does nothing.

Reimplemented from CASM::DoFType::Traits.

Definition at line 59 of file MagSpinDoFTraits.cc.

◆ dof_to_json()

jsonParser CASM::DoFType::Traits::dof_to_json ( ConfigDoF const &  _dof,
BasicStructure const &  _reference 
) const
virtualinherited

Serialize type-specific DoF values from ConfigDoF.

Reimplemented in CASM::DoF_impl::StrainDoFTraits.

Definition at line 105 of file DoFTraits.cc.

◆ find_values()

std::pair< Eigen::MatrixXd, std::set< std::string > > CASM::DoFType::Traits::find_values ( std::map< std::string, Eigen::MatrixXd > const &  values) const
virtualinherited

Retrieve the standard values for a DoF from dictionary of properties from properties.calc.json Returns matrix with standard values, and names of properties that were used to construct the matrix.

Retrieve the standard values for a DoF from dictionary of properties from a SimpleStructure or MappedProperties object Returns matrix with standard values, and names of properties that were used to construct the matrix.

Reimplemented in CASM::DoF_impl::StrainDoFTraits.

Definition at line 58 of file DoFTraits.cc.

◆ from_json()

virtual void CASM::DoFType::Traits::from_json ( DoFSet _in,
jsonParser const &  _json 
) const
inlinevirtualinherited

Populate.

Parameters
_infrom JSON

Definition at line 93 of file DoFTraits.hh.

◆ name()

std::string const& CASM::DoFType::Traits::name ( ) const
inlineinherited

Definition at line 69 of file DoFTraits.hh.

◆ param_pack_allocation()

std::vector< ParamAllocation > CASM::DoFType::Traits::param_pack_allocation ( Structure const &  _prim,
std::vector< BasisSet > const &  _bases 
) const
virtualinherited

Reimplemented in CASM::DoF_impl::OccupationDoFTraits.

Definition at line 443 of file DoFTraits.cc.

◆ parse_dof_specs()

void CASM::DoF_impl::MagSpinDoFTraits::parse_dof_specs ( InputParser< BasisFunctionSpecs > &  parser,
Structure const &  prim 
) const
overridevirtual

Parse DoF-specific basis function specs & validate. Default does nothing.

This function may be overridden in any DoFType::Traits-derived class (i.e. OccupationDoFTraits) to read in parameters for the corresponding DoFSpecs-derived data structure (i.e. OccupationDoFSpecs). Expect that parser.value is already constructed.

Example JSON format for BasisFunctionSpecs with OccupationDoFSpecs:

"basis_function_specs": {
"dofs": ["occ", ...],
...
"dof_specs": {
"occ": <OccupationDoFSpecs JSON>,
...
}
}

Reimplemented from CASM::DoFType::Traits.

Definition at line 49 of file MagSpinDoFTraits.cc.

◆ requires_site_basis()

bool CASM::DoFType::Traits::requires_site_basis ( ) const
inlineinherited

Definition at line 73 of file DoFTraits.hh.

◆ site_basis_description()

std::string CASM::DoFType::Traits::site_basis_description ( BasisSet  site_bset,
Site  site,
Index  site_ix 
) const
virtualinherited

Reimplemented in CASM::DoF_impl::OccupationDoFTraits.

Definition at line 517 of file DoFTraits.cc.

◆ site_basis_name()

std::string CASM::DoFType::Traits::site_basis_name ( ) const
inlineinherited

Definition at line 71 of file DoFTraits.hh.

◆ site_function_visitors()

std::vector< std::unique_ptr< FunctionVisitor > > CASM::DoFType::Traits::site_function_visitors ( std::string const &  nlist_specifier = "%n") const
virtualinherited

Reimplemented in CASM::DoF_impl::OccupationDoFTraits.

Definition at line 491 of file DoFTraits.cc.

◆ to_json()

void CASM::DoFType::Traits::to_json ( DoFSet const &  _out,
jsonParser _json 
) const
virtualinherited

Output.

Parameters
_into JSON

Definition at line 74 of file DoFTraits.cc.

◆ val_traits()

AnisoValTraits const& CASM::DoFType::Traits::val_traits ( ) const
inlineinherited

Definition at line 67 of file DoFTraits.hh.

Member Data Documentation

◆ m_requires_site_basis

bool CASM::DoFType::Traits::m_requires_site_basis
privateinherited

Definition at line 196 of file DoFTraits.hh.

◆ m_val_traits

AnisoValTraits CASM::DoFType::Traits::m_val_traits
privateinherited

Definition at line 195 of file DoFTraits.hh.


The documentation for this class was generated from the following files: