1 #ifndef CASM_StrainDoFTraits
2 #define CASM_StrainDoFTraits
16 std::pair<Eigen::MatrixXd, std::set<std::string> >
find_values(
17 std::map<std::string, Eigen::MatrixXd>
const &values)
const override;
Specifies traits of (possibly) anisotropic crystal properties.
jsonParser dof_to_json(ConfigDoF const &_dof, BasicStructure const &_reference) const override
Serialize strain DoF values from ConfigDoF.
std::string const m_metric
StrainDoFTraits(std::string const &_metric)
DoFType::Traits * _clone() const override
std::vector< BasisSet > construct_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.
void apply_dof(ConfigDoF const &_dof, BasicStructure const &_reference, SimpleStructure &_struc) const override
Transforms SimpleSructure.
std::pair< Eigen::MatrixXd, std::set< std::string > > find_values(std::map< std::string, Eigen::MatrixXd > const &values) const override
Retrieve the standard values for a DoF from dictionary of properties from properties....
Collection of all the traits specific to a DoF type.
Traits(AnisoValTraits const &_val_traits, bool _requires_site_basis=false)
Structure specifies the lattice and atomic basis of a crystal.
BasicStructure specifies the lattice and atomic basis of a crystal.
Representation of a crystal of molecular and/or atomic occupants, and any additional properties....
DoF_impl::StrainDoFTraits GLstrain()
DoF_impl::StrainDoFTraits Hstrain()
DoF_impl::StrainDoFTraits EAstrain()
Specify how to construct basis functions.