CASM::DoFSpaceIO::OutputImpl Class Reference

#include <dof_space_analysis.hh>

Inheritance diagram for CASM::DoFSpaceIO::OutputImpl:

Detailed Description

Definition at line 25 of file dof_space_analysis.hh.

Classes
struct	Error
	Provide state_index, indentifier, and dof_key for any errors. More...

Public Member Functions
void	write_symmetry (Index state_index, std::string const &identifier, ConfigEnumInput const &config_enum_input, std::vector< PermuteIterator > const &group)
virtual void	write_symmetry (Index state_index, std::string const &identifier, ConfigEnumInput const &config_enum_input, SymGroup const &lattice_point_group, SymGroup const &factor_group, SymGroup const &crystal_point_group)=0
virtual void	write_structure (Index state_index, std::string const &identifier, ConfigEnumInput const &config_enum_input)=0
	Write input state structure. More...
virtual void	write_dof_space (Index state_index, DoFSpace const &dof_space, std::string const &identifier, ConfigEnumInput const &config_enum_input, std::optional< SymRepTools_v2::VectorSpaceSymReport > const &sym_report)=0
	Write dof space analysis. More...
void	write_dof_space_error (make_symmetry_adapted_dof_space_error const &e, Index state_index, DoFSpace const &dof_space, std::string const &identifier, ConfigEnumInput const &config_enum_input, std::optional< SymRepTools_v2::VectorSpaceSymReport > const &sym_report)
	Write dof space analysis error information. More...
std::vector< Error > const &	errors () const
std::vector< Error > &	errors ()
void	write_errors () const

Private Attributes
std::vector< Error >	m_errors

Member Function Documentation

errors() [1/2]

std::vector<Error>& CASM::DoFSpaceIO::OutputImpl::errors ( )

inline

Definition at line 83 of file dof_space_analysis.hh.

errors() [2/2]

std::vector<Error> const& CASM::DoFSpaceIO::OutputImpl::errors ( ) const

inline

Definition at line 82 of file dof_space_analysis.hh.

write_dof_space()

virtual void CASM::DoFSpaceIO::OutputImpl::write_dof_space ( Index  state_index, DoFSpace const &  dof_space, std::string const &  identifier, ConfigEnumInput const &  config_enum_input, std::optional< SymRepTools_v2::VectorSpaceSymReport > const &  sym_report  )

pure virtual

Write dof space analysis.

Implemented in CASM::DoFSpaceIO::CombinedJsonOutput, and CASM::DoFSpaceIO::DirectoryOutput.

write_dof_space_error()

void CASM::DoFSpaceIO::OutputImpl::write_dof_space_error	(	make_symmetry_adapted_dof_space_error const &	e,
		Index	state_index,
		DoFSpace const &	dof_space,
		std::string const &	identifier,
		ConfigEnumInput const &	config_enum_input,
		std::optional< SymRepTools_v2::VectorSpaceSymReport > const &	sym_report
	)

Write dof space analysis error information.

Definition at line 45 of file dof_space_analysis.cc.

write_errors()

void CASM::DoFSpaceIO::OutputImpl::write_errors

(

)

const

Write dof space analysis error information to <current_path>/dof_space_errors.json

Definition at line 58 of file dof_space_analysis.cc.

write_structure()

virtual void CASM::DoFSpaceIO::OutputImpl::write_structure ( Index  state_index, std::string const &  identifier, ConfigEnumInput const &  config_enum_input  )

pure virtual

Write input state structure.

Implemented in CASM::DoFSpaceIO::CombinedJsonOutput, and CASM::DoFSpaceIO::DirectoryOutput.

write_symmetry() [1/2]

void CASM::DoFSpaceIO::OutputImpl::write_symmetry	(	Index	state_index,
		std::string const &	identifier,
		ConfigEnumInput const &	config_enum_input,
		std::vector< PermuteIterator > const &	group
	)

Write symmetry groups (lattice point group, factor_group, crystal_point_group)

Definition at line 31 of file dof_space_analysis.cc.

write_symmetry() [2/2]

virtual void CASM::DoFSpaceIO::OutputImpl::write_symmetry ( Index  state_index, std::string const &  identifier, ConfigEnumInput const &  config_enum_input, SymGroup const &  lattice_point_group, SymGroup const &  factor_group, SymGroup const &  crystal_point_group  )

pure virtual

Write symmetry groups (lattice point group, factor_group, crystal_point_group)

• lattice_point_group: point group of supercell lattice
• factor_group: subgroup of supercell factor group that keeps configuration DoF invariant and selected sites invariant
• crystal_point_group: factor_group excluding translations

Implemented in CASM::DoFSpaceIO::CombinedJsonOutput, and CASM::DoFSpaceIO::DirectoryOutput.

Member Data Documentation

m_errors

std::vector<Error> CASM::DoFSpaceIO::OutputImpl::m_errors

private

Definition at line 90 of file dof_space_analysis.hh.

---

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

• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/include/casm/enumerator/io/dof_space_analysis.hh
• /Users/bpuchala/Work/codes/CASMcode_v0.2.X_reference/src/casm/enumerator/io/dof_space_analysis.cc