CASM
1.1.0
A Clusters Approach to Statistical Mechanics
|
#include <dof_space_analysis.hh>
Implementation that outputs to <casm_project>/symmetry/analysis/<configname>
Definition at line 130 of file dof_space_analysis.hh.
Public Member Functions | |
SymmetryDirectoryOutput (DirectoryStructure const &dir) | |
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) override |
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 |
void | write_symmetry (Index state_index, std::string const &identifier, ConfigEnumInput const &config_enum_input, std::vector< PermuteIterator > const &group) |
void | write_structure (Index state_index, std::string const &identifier, ConfigEnumInput const &config_enum_input) override |
Write input state structure. More... | |
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) override |
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 Member Functions | |
void | _check_config (Index state_index, std::string const &identifier, ConfigEnumInput const &config_enum_input) override |
fs::path | _output_dir (Index state_index, std::string const &identifier, ConfigEnumInput const &config_enum_input) override |
For SymmetryDirectoryOutput return output directory path in symmetry dir. More... | |
Private Attributes | |
DirectoryStructure const & | m_dir |
std::vector< Error > | m_errors |
CASM::DoFSpaceIO::SymmetryDirectoryOutput::SymmetryDirectoryOutput | ( | DirectoryStructure const & | dir | ) |
Definition at line 175 of file dof_space_analysis.cc.
|
overrideprivatevirtual |
For SymmetryDirectoryOutput, configurations must exist in database and this will throw otherwise
Implements CASM::DoFSpaceIO::DirectoryOutput.
Definition at line 180 of file dof_space_analysis.cc.
|
overrideprivatevirtual |
For SymmetryDirectoryOutput return output directory path in symmetry dir.
Implements CASM::DoFSpaceIO::DirectoryOutput.
Definition at line 206 of file dof_space_analysis.cc.
|
inlineinherited |
Definition at line 83 of file dof_space_analysis.hh.
|
inlineinherited |
Definition at line 82 of file dof_space_analysis.hh.
|
overridevirtualinherited |
Write dof space analysis.
Implements CASM::DoFSpaceIO::OutputImpl.
Definition at line 159 of file dof_space_analysis.cc.
|
inherited |
Write dof space analysis error information.
Definition at line 45 of file dof_space_analysis.cc.
|
inherited |
Write dof space analysis error information to <current_path>/dof_space_errors.json
Definition at line 58 of file dof_space_analysis.cc.
|
overridevirtualinherited |
Write input state structure.
Implements CASM::DoFSpaceIO::OutputImpl.
Definition at line 145 of file dof_space_analysis.cc.
|
inherited |
Write symmetry groups (lattice point group, factor_group, crystal_point_group)
Definition at line 31 of file dof_space_analysis.cc.
|
inherited |
Write symmetry groups (lattice point group, factor_group, crystal_point_group)
Definition at line 40 of file dof_space_analysis.cc.
|
overridevirtualinherited |
Write symmetry groups (lattice point group, factor_group, crystal_point_group)
Implements CASM::DoFSpaceIO::OutputImpl.
Definition at line 88 of file dof_space_analysis.cc.
|
inherited |
Write symmetry groups (lattice point group, factor_group, crystal_point_group)
|
private |
Definition at line 144 of file dof_space_analysis.hh.
|
privateinherited |
Definition at line 90 of file dof_space_analysis.hh.