radis.api.dbmanager module¶
- class DatabaseManager(name, molecule, local_databases, engine, extra_params=None, verbose=False, parallel=True, nJobs=-2, batch_size='auto')[source]¶
Bases:
object
Line Database parser
- Parameters:
name (str) – database name as registered in ~/radis.json
molecule (str)
local_databases (str) – path to local database
engine (‘vaex’, ‘pytables’, ‘h5py’, or ‘default’) – memory-mapping library to use with this database. If ‘default’ use the value from ~/radis.json
- Other Parameters:
*input for :class:`~joblib.parallel.Parallel` loading of database*
parallel (bool) – if
True
, use parallel loading. DefaultTrue
.nJobs (int) – Number of processors to use to load a database (useful for big databases). BE CAREFUL, no check is done on processor use prior to the execution ! Default
-2
: use all but 1 processors. Use1
for single processor.batch_size (int or
'auto'
) – The number of atomic tasks to dispatch at once to each worker. When individual evaluations are very fast, dispatching calls to workers can be slower than sequential computation because of the overhead. Batching fast computations together can mitigate this. Default:'auto'
More information in :class:`joblib.parallel.Parallel`
- add_column(df, key, value)[source]¶
Create column
key
in DataFrame or dictionarydf
with valuevalue
- check_deprecated_files(local_files, auto_remove=True)[source]¶
Check metadata of files and remove the deprecated ones
Unless auto_remove=False: Then raise an error
- clean_download_files()[source]¶
Fully unzipped (and working, as it was reloaded): clean files
Note : we do not let np.DataSource clean its own tempfiles; as they may be downloaded but not fully parsed / registered.
- fetch_urlnames() list [source]¶
“This function should be overwritten by the DatabaseManager subclass
- Returns:
list (list of urlnames)
See for instance (py:class:`radis.api.hitempapi.HITEMPDatabaseManager)
- get_filenames()[source]¶
Get names of all files in the database (even if not downloaded yet)
See also
get_files_to_download()
- get_missing_files(files)[source]¶
Return files that do not exist among
files
Note : in ‘vaex’ mode; if “FILE.hdf5” does not exist but “FILE.h5” does (a likely ‘pytables’ file), does not consider it missing so it can be converted automatically
See also
- load(local_files, columns=None, lower_bound=[], upper_bound=[], within=[], output='pandas')[source]¶
- Other Parameters:
columns (list of str) – list of columns to load. If
None
, returns all columns in the file.output (‘pandas’, ‘vaex’, ‘jax’) – format of the output DataFrame. If
'jax'
, returns a dictionary of jax arrays.lower_bound (list of tuples [(column, lower_bound), etc.]) –
lower_bound =[("wav", load_wavenum_min)]
upper_bound_bound (list of tuples [(column, upper_bound), etc.]) –
upper_bound=[("wav", load_wavenum_max)]
within (list of tuples [(column, within_list), etc.]) –
within=[("iso", isotope.split(","))]
- register_database(databank_name, dict_entries, verbose)[source]¶
Add to registered databases in RADIS config file.
If database exists, assert it has the same entries.
- Parameters:
databank_name (str) – name of the database in ~/radis.json config file
- Other Parameters:
verbose (bool)
- Returns:
adds to ~/radis.json with all the input parameters. Also adds
format : "hitemp-radisdb" parfuncfmt : "hapi" # TIPS-2017 for equilibrium partition functions
And if the molecule is in
MOLECULES_LIST_NONEQUILIBRIUM
:levelsfmt : "radis" # use RADIS spectroscopic constants for rovibrational energies (nonequilibrium)
- Return type:
None