casm.project.DirectoryStructure

class casm.project.DirectoryStructure(path=None)

Standard file and directory locations for a CASM project

Construct a CASM Project DirectoryStructure representation.

Args:

path: path to CASM project (Default=None, uses project containing current directory).

__init__(path=None)

Construct a CASM Project DirectoryStructure representation.

Args:

path: path to CASM project (Default=None, uses project containing current directory).

Methods

POS(configname[, calc_subdir])	Return path to POS file
__init__([path])	Construct a CASM Project DirectoryStructure representation.
all_bset()	Check filesystem directory structure and return list of all basis set names
all_calctype()	Check filesystem directory structure and return list of all calctype names
all_clex_name()	Check filesystem directory structure and return list of all cluster expansion names
all_eci(property, calctype, ref, bset)	Check filesystem directory structure and return list of all eci names
all_ref(calctype)	Check filesystem directory structure and return list of all ref names for a given calctype
basis(clex)	Returns path to the basis.json file
bset_dir(clex)	Return path to directory contain basis set info
bspecs(clex)	Return basis function specs (bspecs.json) file path
calc_settings_dir(clex)	Return calculation settings directory path, for global settings from clex
calctype_dir(configname, clex[, calc_subdir])	Return calctype directory path (e.g.
calctype_settings_dir(calctype)	Return calculation settings directory path, for global settings from calctype
calculated_properties(configname, clex[, …])	Return calculated properties file path
casm_dir()	Return hidden .casm dir path
casmdb_dir()	Return .casm/jsonDB path
chemical_reference(clex)	Return chemical reference file path
clexulator_dir(clex)	Returns path to directory containing global clexulator
clexulator_o(project, clex)	Returns path to global clexulator.o file
clexulator_so(project, clex)	Returns path to global clexulator so file
clexulator_src(project, clex)	Returns path to global clexulator source file
clust(clex)	Returns path to the clust.json file
composition_axes()	Return composition axes file path
config_json(configname[, calc_subdir])	Return path to structure.json file
config_list()	Return master config_list.json file path
configuration_calc_settings_dir(configname, clex)	Return calculation settings directory path, for configuration specific settings
configuration_dir(configname[, calc_subdir])	Return configuration directory path (configname has format SCELV_A_B_C_D_E_F/I)
crystal_point_group()	Return crystal_point_group.json path
eci(clex)	Returns path to eci.json
eci_dir(clex)	Returns path to eci directory
factor_group()	Return factor_group.json path
lattice_point_group()	Return lattice_point_group.json path
master_selection(type)	Return location of MASTER selection file
prim()	Return prim.json path
project_settings()	Return project_settings.json path
property_dir(clex)	Returns path to eci directory
ref_dir(clex)	Return calculation reference settings directory path, for global settings
root_dir()	Return casm project directory path
scel_list(scelname)	Return master scel_list.json path
settings_path_crawl(filename, configname, clex)	Returns the path to the first file named ‘filename’ found in the settings directories.
structure_json(configname[, calc_subdir])	Return path to structure.json file
supercell_calc_settings_dir(scelname, clex)	Return calculation settings directory path, for supercell specific settings
supercell_dir(scelname[, calc_subdir])	Return supercell directory path (scelname has format SCELV_A_B_C_D_E_F)
symmetry_dir()	Return symmetry directory path