Collection of all the traits specific to a DoF type.
Definition at line 59 of file DoFTraits.hh.
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| Traits (AnisoValTraits const &_val_traits, bool _requires_site_basis=false) |
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AnisoValTraits const & | val_traits () const |
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std::string const & | name () const |
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std::string | site_basis_name () const |
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bool | requires_site_basis () const |
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virtual | ~Traits () |
| Allow destruction through base pointer. More...
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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...
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virtual std::vector< BasisSet > | construct_site_bases (Structure const &_prim, std::vector< Orbit< PrimPeriodicSymCompare< IntegralCluster > > > &_asym_unit, BasisFunctionSpecs const &_basis_function_specs) const =0 |
| Construct the site basis (if DOF_MODE is LOCAL) for a DoF, given its site. More...
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virtual void | from_json (DoFSet &_in, jsonParser const &_json) const |
| Populate. More...
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virtual void | to_json (DoFSet const &_out, jsonParser &_json) const |
| Output. More...
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virtual void | apply_dof (ConfigDoF const &_dof, BasicStructure const &_reference, SimpleStructure &_struc) const |
| Transforms SimpleSructure. More...
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virtual jsonParser | dof_to_json (ConfigDoF const &_dof, BasicStructure const &_reference) const |
| Serialize type-specific DoF values from ConfigDoF. More...
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virtual std::vector< std::unique_ptr< FunctionVisitor > > | site_function_visitors (std::string const &nlist_specifier="%n") const |
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virtual std::vector< std::unique_ptr< FunctionVisitor > > | clust_function_visitors () const |
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virtual std::string | site_basis_description (BasisSet site_bset, Site site, Index site_ix) const |
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virtual std::vector< ParamAllocation > | param_pack_allocation (Structure const &_prim, std::vector< BasisSet > const &_bases) const |
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virtual std::string | clexulator_constructor_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const |
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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 |
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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 |
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virtual std::string | clexulator_member_declarations_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const |
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virtual std::string | clexulator_private_method_declarations_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const |
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virtual std::string | clexulator_public_method_declarations_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const |
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virtual std::string | clexulator_private_method_definitions_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const |
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virtual std::string | clexulator_public_method_definitions_string (Structure const &_prim, std::vector< BasisSet > const &site_bases, std::string const &indent) const |
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virtual void | parse_dof_specs (InputParser< BasisFunctionSpecs > &parser, Structure const &prim) const |
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virtual void | dof_specs_to_json (BasisFunctionSpecs const &basis_function_specs, jsonParser &json, Structure const &prim) const |
| Output DoF-specific basis function specs to json. Default does nothing. More...
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std::unique_ptr< Traits > | clone () const |
| non-virtual method to obtain copy through Traits pointer More...
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std::pair< Eigen::MatrixXd, std::set< std::string > > CASM::DoFType::Traits::find_values |
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std::map< std::string, Eigen::MatrixXd > const & |
values | ) |
const |
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virtual |
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.
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", ...],
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"dof_specs": {
"occ": <OccupationDoFSpecs JSON>,
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}
}
Reimplemented in CASM::DoF_impl::OccupationDoFTraits, and CASM::DoF_impl::MagSpinDoFTraits.
Definition at line 179 of file DoFTraits.hh.