radis.misc.config module¶
Summary¶
Functions to parse the ~/radis.json Configuration file
Notes
Create a ~/radis.json file in your HOME that contains all machine-specific information
(e.g: path to databanks). See DBFORMAT for expected
format
Routine Listing¶
- DBFORMAT = '\n--------------------------\n\n[MY-HITEMP-CO2] # your databank name: use this in calc_spectrum()\n # or SpectrumFactory.load_databank()\ninfo = HITEMP 2010 databank # whatever you want\npath = # no "", multipath allowed\n D:\\Databases\\HITEMP-CO2\\hitemp_07\n D:\\Databases\\HITEMP-CO2\\hitemp_08\n D:\\Databases\\HITEMP-CO2\\hitemp_09\nformat = hitran # \'hitran\' (HITRAN/HITEMP), \'cdsd-hitemp\', \'cdsd-4000\'\n # databank text file format. More info in\n # SpectrumFactory.load_databank function.\nparfuncfmt: # \'cdsd\', \'hapi\', etc.\n # format to read tabulated partition function\n # file. If `hapi`, then HAPI (HITRAN Python\n # interface) is used to retrieve them (valid if\n # your databank is HITRAN data). HAPI is embedded\n # into RADIS. Check the version.\n# Optional\n# ----------\nparfunc: # path to tabulated partition function to use.\n # If `parfuncfmt` is `hapi` then `parfunc`\n # should be the link to the hapi.py file. If\n # not given, then the hapi.py embedded in RADIS\n # is used (check version)\nlevels_iso1 # path to energy levels (needed for non-eq\n # calculations). Default None\nlevels_iso2 # etc\nlevels_iso4 # etc\nlevelsfmt: # \'cdsd\', etc.\n # how to read the previous file. Default None.\nlevelsZPE: # zero-point-energy (cm-1): offset for all level\n # energies. Default 0 (if not given)\n\n--------------------------'[source]¶
Typical expected format of a ~/.radis entry:
-------------------------- [MY-HITEMP-CO2] # your databank name: use this in calc_spectrum() # or SpectrumFactory.load_databank() info = HITEMP 2010 databank # whatever you want path = # no "", multipath allowed D:\Databases\HITEMP-CO2\hitemp_07 D:\Databases\HITEMP-CO2\hitemp_08 D:\Databases\HITEMP-CO2\hitemp_09 format = hitran # 'hitran' (HITRAN/HITEMP), 'cdsd-hitemp', 'cdsd-4000' # databank text file format. List of all # formats in :py:data:`~radis.lbl.loader.KNOWN_DBFORMAT` # More info in # :py:meth:`~radis.lbl.loader.DatabankLoader.load_databank` function. parfuncfmt: # 'cdsd', 'hapi', etc. # format to read tabulated partition function # file. If `hapi`, then HAPI (HITRAN Python # interface) is used to retrieve them (valid if # your databank is HITRAN data). HAPI is embedded # into RADIS. Check the version. # List of all formats in :py:data:`~radis.lbl.loader.KNOWN_LVLFORMAT` # Optional # ---------- parfunc: # path to tabulated partition function to use. # If `parfuncfmt` is `hapi` then `parfunc` # should be the link to the hapi.py file. If # not given, then the hapi.py embedded in RADIS # is used (check version) levels_iso1 # path to energy levels (needed for non-eq # calculations). Default None levels_iso2 # etc levels_iso4 # etc levelsfmt: # 'cdsd', etc. # how to read the previous file. Default None. levelsZPE: # zero-point-energy (cm-1): offset for all level # energies. Default 0 (if not given) --------------------------
For more information refer to the documentation: Configuration file :
Setup test databases with
setup_test_line_databases()format: format:KNOWN_DBFORMAT
See also
- Type:
str
- DBFORMATJSON = '\n--------------------------\n\n{\n"database": { # database key, stores all databases\n "MY-HITEMP-CO2": { # your databank name: use this in calc_spectrum()\n # or SpectrumFactory.load_databank()\n "info": "HITEMP 2010 databank", # whatever you want\n "path": # no "", multipath allowed\n ["D:\\Databases\\HITEMP-CO2\\hitemp_07",\n "D:\\Databases\\HITEMP-CO2\\hitemp_08",\n "D:\\Databases\\HITEMP-CO2\\hitemp_09"],\n "format": "hitran", # \'hitran\' (HITRAN/HITEMP), \'cdsd-hitemp\', \'cdsd-4000\'\n # databank text file format. More info in\n # SpectrumFactory.load_databank function.\n "parfuncfmt": # \'cdsd\', \'hapi\', etc.\n # format to read tabulated partition function\n # file. If `hapi`, then HAPI (HITRAN Python\n # interface) is used to retrieve them (valid if\n # your databank is HITRAN data). HAPI is embedded\n # into RADIS. Check the version.\n # Optional\n # ----------\n "parfunc": # path to tabulated partition function to use.\n # If `parfuncfmt` is `hapi` then `parfunc`\n # should be the link to the hapi.py file. If\n # not given, then the hapi.py embedded in RADIS\n # is used (check version)\n "levels_iso1": # path to energy levels (needed for non-eq\n # calculations). Default None\n "levels_iso2": # etc\n "levels_iso4": # etc\n "levelsfmt": # \'cdsd\', etc.\n # how to read the previous file. Default None.\n "levelsZPE": # zero-point-energy (cm-1): offset for all level\n } # energies. Default 0 (if not given)\n }\n}\n\n--------------------------'[source]¶
Typical expected format of a ~/radis.json entry in “database” key:
-------------------------- "MY-HITEMP-CO2": { # your databank name: use this in calc_spectrum() # or SpectrumFactory.load_databank() "info": "HITEMP 2010 databank", # whatever you want "path":[ # no "", multipath allowed "D:\Databases\HITEMP-CO2\hitemp_07" "D:\Databases\HITEMP-CO2\hitemp_08" "D:\Databases\HITEMP-CO2\hitemp_09" ], "format": "hitran", # 'hitran' (HITRAN/HITEMP), 'cdsd-hitemp', 'cdsd-4000' # databank text file format. List of all # formats in :py:data:`~radis.lbl.loader.KNOWN_DBFORMAT` # More info in # :py:meth:`~radis.lbl.loader.DatabankLoader.load_databank` function. "parfuncfmt": # 'cdsd', 'hapi', etc. # format to read tabulated partition function # file. If `hapi`, then HAPI (HITRAN Python # interface) is used to retrieve them (valid if # your databank is HITRAN data). HAPI is embedded # into RADIS. Check the version. # List of all formats in :py:data:`~radis.lbl.loader.KNOWN_LVLFORMAT` # Optional # ---------- "parfunc": # path to tabulated partition function to use. # If `parfuncfmt` is `hapi` then `parfunc` # should be the link to the hapi.py file. If # not given, then the hapi.py embedded in RADIS # is used (check version) "levels_iso1": # path to energy levels (needed for non-eq # calculations). Default None "levels_iso2": # etc "levels_iso4": # etc "levelsfmt": # 'cdsd', etc. # how to read the previous file. Default None. "levelsZPE": # zero-point-energy (cm-1): offset for all level } # energies. Default 0 (if not given) --------------------------
For more information refer to the documentation: Configuration file :
Setup test databases with
setup_test_line_databases()format: format:KNOWN_DBFORMAT
See also
- Type:
str
- addDatabankEntries(dbname, dict_entries, verbose=True, configpath='/home/docs/radis.json')[source]¶
Add database dbname with entries from dict_entries.
If database already exists in ~/radis.json, raises an error
Examples
addDatabankEntries("HITEMP2010-CO2", { "info": "HITEMP2020 CO2 lines with TIPS-2017 for partition functions (equilibrium) and RADIS for rovibrational energies (nonequilibrium) ", "path": ["PATH/TO/HITEMP/CO2/*.par"], "format": "hitran", "parfuncfmt": "hapi", "levelsfmt": "radis", })
- addDatabankEntries_configformat(dbname, dict_entries, verbose=True)[source]¶
Add database dbname with entries from dict_entries.
If database already exists in ~/.radis, raises an error
Examples
addDatabankEntries("HITEMP2010-CO2", { "info": "HITEMP2020 CO2 lines with TIPS-2017 for partition functions (equilibrium) and RADIS for rovibrational energies (nonequilibrium) ", "path": ["PATH/TO/HITEMP/CO2/*.par"], "format": "hitran", "parfuncfmt": "hapi", "levelsfmt": "radis", })
- convertRadisToJSON(config_path_json, config_path_old='/home/docs/.radis')[source]¶
Converts the ~/.radis file into json formatted file ~/radis.json
Example
original ~/.radis file format:
[HITRAN-CO2-TEST] info = HITRAN 2016 database, CO2, 1 main isotope (CO2-626), bandhead: 2380-2398 cm-1 (4165-4200 nm) path = PATH_TO\radis\radis\test\files\hitran_co2_626_bandhead_4165_4200nm.par format = hitran parfuncfmt = hapi levelsfmt = radis
{ “database”: {
- “HITRAN-CO2-TEST”: {
“info”: “HITRAN 2016 database, CO2, 1 main isotope (CO2-626), bandhead: 2380-2398 cm-1 (4165-4200 nm)”, “path”: “PATH_TO\radis\radis\test\files\hitran_co2_626_bandhead_4165_4200nm.par”, “format”: “hitran”, “parfuncfmt”: “hapi”, “levelsfmt”: “radis”
}
}
}
- diffDatabankEntries(dict_entries1, dict_entries2, verbose=True)[source]¶
Compare two Databank entries under dict format (i.e: output of getDatabankEntries)
Returns None if no differences are found, or the first different key
- getDatabankEntries(dbname, get_extra_keys=[], configpath='/home/docs/radis.json')[source]¶
Read ~/radis.json config file and returns a dictionary of entries.
- Parameters:
dbname (str) – database name in ~/radis.json config file
get_extra_keys (list) – read additional parameters on top of the usual Databank format keys :
Notes
Databank format:
"MY-HITEMP-CO2": { # your databank name: use this in calc_spectrum() # or SpectrumFactory.load_databank() "info": "HITEMP 2010 databank" # whatever you want "path": [ # no "", multipath allowed "D:\Databases\HITEMP-CO2\hitemp_07", "D:\Databases\HITEMP-CO2\hitemp_08", "D:\Databases\HITEMP-CO2\hitemp_09" ], "format": "hitemp" # 'hitran' (HITRAN / HITEMP), 'cdsd-hitemp', 'cdsd-4000' # Databank text file format. More info in # SpectrumFactory.load_databank function. # Optional: "parfunc": # path or 'USE_HAPI' # path to tabulated partition functions. If # `USE_HAPI`, then HAPI (HITRAN Python interface) [1]_ is used to retrieve them (valid if your databank is HITRAN data). HAPI is embedded into RADIS. Check the version. "parfuncfmt": # 'cdsd' # format to read tabulated partition function # file. If `USE_HAPI` is given as `parfunc` # parameter then this line should not be used. "levels_iso1": # path to energy levels (needed for non-eq) # calculations. "levels_iso2": # etc "levels_iso4": # etc "levelsfmt": # 'cdsd' } # how to read the previous file.
References
- getDatabankEntries_configformat(dbname, get_extra_keys=[])[source]¶
Read ~/.radis config file and returns a dictionary of entries.
- Parameters:
dbname (str) – database name in ~/.radis config file
get_extra_keys (list) – read additional parameters on top of the usual Databank format keys :
Notes
Databank format:
[MY-HITEMP-CO2] # your databank name: use this in calc_spectrum() # or SpectrumFactory.load_databank() info = HITEMP 2010 databank # whatever you want path = # no "", multipath allowed D:\Databases\HITEMP-CO2\hitemp_07 D:\Databases\HITEMP-CO2\hitemp_08 D:\Databases\HITEMP-CO2\hitemp_09 format = hitemp # 'hitran' (HITRAN / HITEMP), 'cdsd-hitemp', 'cdsd-4000' # Databank text file format. More info in # SpectrumFactory.load_databank function. # Optional: parfunc # path or 'USE_HAPI' # path to tabulated partition functions. If # `USE_HAPI`, then HAPI (HITRAN Python interface) [1]_ is used to retrieve them (valid if your databank is HITRAN data). HAPI is embedded into RADIS. Check the version. parfuncfmt: # 'cdsd' # format to read tabulated partition function # file. If `USE_HAPI` is given as `parfunc` # parameter then this line should not be used. levels_iso1 # path to energy levels (needed for non-eq) # calculations. levels_iso2 # etc levels_iso4 # etc levelsfmt # 'cdsd' # how to read the previous file.
References
- getDatabankList(configpath='/home/docs/radis.json')[source]¶
Get all databanks available in :ref:`~/radis.json
- get_config(configpath='/home/docs/radis.json')[source]¶
Read the default RADIS config.json file
configpath(defaultCONFIG_PATH_JSONand override it with the entries of the user config file~/.radis(CONFIG_PATH_DEFAULT
- get_user_config_configformat()[source]¶
Read config file and returns it.
Config file name is hardcoded: ~/.radis
- init_radis_json(config_path_json, config_path_old='/home/docs/.radis')[source]¶
Checks whether
config_path_json(usuallyjson) exists.If not then we use
convertRadisToJSON()to convertradisintojson
- printDatabankEntries(dbname, crop=200, configpath='/home/docs/radis.json')[source]¶
Print databank info.
- Parameters:
dbname (str) – database name in ~/radis.json
crop (int) – if > 0, cutoff entries larger than that
- printDatabankEntries_configformat(dbname, crop=200)[source]¶
Print databank info.
- Parameters:
dbname (str) – database name in ~/.radis
crop (int) – if > 0, cutoff entries larger than that