CASM  1.1.0
A Clusters Approach to Statistical Mechanics
CASM::DoFSpaceIO Namespace Reference

Classes

class  OutputImpl
 
class  DirectoryOutput
 
class  SymmetryDirectoryOutput
 Implementation that outputs to <casm_project>/symmetry/analysis/<configname> More...
 
class  SequentialDirectoryOutput
 Implementation that outputs to <output_dir>/dof_space/state.<index> More...
 
class  CombinedJsonOutput
 
struct  DoFSpaceAnalysisOptions
 

Functions

void output_dof_space (Index state_index, std::string const &identifier, ConfigEnumInput const &input_state, DoFSpaceAnalysisOptions const &options, OutputImpl &output)
 
void dof_space_analysis (std::vector< std::pair< std::string, ConfigEnumInput >> const &named_inputs, DoFSpaceAnalysisOptions const &options, OutputImpl &output)
 
jsonParser combine_dof_space_analysis_json_options (jsonParser const &json_options, jsonParser const &cli_options_as_json)
 
void require_database_configurations (ParentInputParser &parser)
 
void parse_dofs (ParentInputParser &parser, std::vector< DoFKey > &dofs, std::vector< DoFKey > const &all_dof_types)
 

Function Documentation

◆ combine_dof_space_analysis_json_options()

jsonParser CASM::DoFSpaceIO::combine_dof_space_analysis_json_options ( jsonParser const &  json_options,
jsonParser const &  cli_options_as_json 
)

Definition at line 16 of file dof_space_analysis.cc.

◆ dof_space_analysis()

void CASM::DoFSpaceIO::dof_space_analysis ( std::vector< std::pair< std::string, ConfigEnumInput >> const &  named_inputs,
DoFSpaceAnalysisOptions const &  options,
OutputImpl output 
)

Definition at line 357 of file dof_space_analysis.cc.

◆ output_dof_space()

void CASM::DoFSpaceIO::output_dof_space ( Index  state_index,
std::string const &  identifier,
ConfigEnumInput const &  input_state,
DoFSpaceAnalysisOptions const &  options,
OutputImpl output 
)

Definition at line 302 of file dof_space_analysis.cc.

◆ parse_dofs()

void CASM::DoFSpaceIO::parse_dofs ( ParentInputParser parser,
std::vector< DoFKey > &  dofs,
std::vector< DoFKey > const &  all_dof_types 
)

Parser "dofs" value for dof space analysis

dofs: array of string (optional, default=all_dof_types) Entries must exist in "all_dof_types" else an error is inserted.

Definition at line 57 of file dof_space_analysis.cc.

◆ require_database_configurations()

void CASM::DoFSpaceIO::require_database_configurations ( ParentInputParser parser)

For now, only support "confignames" and "config_selection" for reading ConfigEnumInput

Later, could support other ConfigEnumInput JSON options (supercells, selecting sites, clusters, etc.), but need to determine how to write / print the data

Definition at line 37 of file dof_space_analysis.cc.