radis.api.hitempapi module

Created on Tue Jan 26 22:40:51 2021

@author: erwan

https://stackoverflow.com/questions/55610891/numpy-load-from-io-bytesio-stream https://stupidpythonideas.blogspot.com/2014/07/three-ways-to-read-files.html

class HITEMPDatabaseManager(name, molecule, local_databases, engine='default', verbose=True, chunksize=100000, parallel=True, database='most_recent')

Bases: DatabaseManager

fetch_url_Nlines_wmin_wmax(session=None, hitemp_url='https://hitran.org')

requires connexion

fetch_urlnames()

requires connection

get_linereturn_format(opener, urlname, columns)

keep_only_relevant(inputfiles, wavenum_min=None, wavenum_max=None, verbose=True) → list

For H2O, return only relevant files for given wavenumber range.

If other molecule, return the file anyway. see radis.api.hitempapi.keep_only_relevant()

parse_to_local_file(opener, urlname, local_file, pbar_active=True, pbar_t0=0, pbar_Ntot_estimate_factor=None, pbar_Nlines_already=0, pbar_last=True)

Uncompress urlname into local_file. Also add metadata

Parameters:

• opener (an opener with an .open() command)

• gfile (file handler. Filename: for info)

register(download)

register in ~/radis.json

decrypt_password(encrypted_password)

Decrypt password using Fernet symmetric encryption

download_and_decompress_CO2_into_df(local_databases=None, load_wavenum_min=None, load_wavenum_max=None, isotope=None, columns=None, verbose=True, engine='pytables', output='pandas')

This function handles downloading the HITEMP CO2 database. The full 2024 database is downloaded in smaller files of approximately 50-70 MB (500 MB decompressed chunks in h5 format), locating the appropriate data chunk based on the provided wavenumber range and reading the relevant data into a DataFrame.

Parameters:

• load_wavenum_min (float or None, optional) – Minimum wavenumber to load from the database. If None, loads from the beginning.

• load_wavenum_max (float or None, optional) – Maximum wavenumber to load from the database. If None, loads to the end.

• verbose (bool, default True) – If True, prints progress and status messages.

• isotope (str, int or None) – load only certain isotopes : '2', '1,2', etc. If None, loads everything. Default None.

• columns (list of str or None) – List of columns to load from the database. If None, loads all columns. Default None.

• engine (str, default “pytables”) – Engine to use for reading and writing data. Options may include “pytables”.

• output (str, default “pandas”) – Output format for the data. Default is “pandas” DataFrame.

• local_databases (str or None, optional) – Directory to store/read local database files. If None, uses the default directory.

Returns:

The loaded data in the specified output format (default: pandas DataFrame).

Return type:

DataFrame or object

Notes

• Requires the HITEMP CO2 database to be accessible or downloadable.

download_hitemp_file(session, file_url, output_filename, verbose=False)

encrypt_password(password)

Encrypt password using Fernet symmetric encryption

get_encryption_key()

Get or create encryption key for HITRAN credentials

get_last(b)

Get non-empty lines of a chunk b, parsing the bytes.

get_recent_hitemp_database_year(molecule)

Retrieve the most recent available database year from the hitran website.

Parameters:

molecule (str)

Returns:

The year of the latest available database.

Return type:

str

Examples

Get the latest database year for CO2 from HITEMP :

year = get_recent_hitemp_database_year("CO2")
>>> "2024"

keep_only_relevant(inputfiles, wavenum_min=None, wavenum_max=None, verbose=True) → list | float

Parser file names for wavenum_format (min and max) and only keep relevant files if the requested range is [wavenum_min, wavenum_max]

Returns:

• relevant (list of relevant files)

• files_wmin, files_wmax ((float, float) : wavenum min & max of relevant range)

login_to_hitran(verbose=False)

Login to HITRAN using stored credentials from radis.json or prompt if not available

parse_one_CO2_block(fname, cache=True, verbose=True, columns=None, engine='pytables', output='pandas', parse_quanta=True, wav_range=None)

Parse a CO2 .par file block into a DataFrame with caching support.

Parameters:

• fname (str) – Path to the .par file

• cache (bool) – Whether to use/save cached version. Setting cache = True will convert and save the .par file to a .h5 or .hdf5 cache file (default True).

• verbose (bool) – Print progress messages (default True)

• engine (str) – Cache format: ‘pytables’ (.h5) or ‘vaex’ (.hdf5) (default ‘pytables’)

• output (str) – Output format: ‘pandas’ or ‘vaex’ (default ‘pandas’)

• parse_quanta (bool) – Parse quantum numbers for non-LTE calculations (default True)

Returns:

Parsed spectroscopic data

Return type:

DataFrame

read_and_write_chunked_for_CO2(load_wavenum_max, load_wavenum_min, columns=None, isotope=None, engine='pytables', output='pandas', verbose=True, local_databases=None)

Download, parse and cache CO2 data chunks for specified wavenumber range. :Parameters: * load_wavenum_min, load_wavenum_max (float) – Wavenumber range to load (cm-1)

• columns (list, optional) – Columns to include in output

• isotope (str, optional) – Isotope filter (e.g., “1”, “2”, “1,2”)

• engine (str) – Cache format: ‘pytables’ or ‘vaex’ (default ‘pytables’)

• output (str) – Output format: ‘pandas’ or ‘vaex’ (default ‘pandas’)

• verbose (bool) – Print progress messages (default True)

• local_databases (str, optional) – Custom cache directory

Returns:

(DataFrame, list of local file paths)

Return type:

tuple

read_config()

Load the RADIS configuration from the JSON file.

Returns:

The configuration dictionary loaded from CONFIG_PATH_JSON, or an empty dictionary if the file does not exist.

Return type:

dict

register_partial_hitemp_co2(file_entry)

Register a partial HITEMP CO2 2024 download in radis.json.

running_in_spyder()

Check if the console is running within Spyder.

setup_credentials()

Set up HITRAN credentials and store them in .env file.

store_credentials(email, password)

Store HITRAN credentials in radis.json file with encrypted email and password