0.13.0
Spring release 馃尡
Pull request details : #472
馃敩 (Physics) Features
- #462 adding GEISA database support by @TranHuuNhatHuy
s = calc_spectrum(1000 / u.cm, 10000 / u.cm,
molecule="CH4",
mole_fraction=1900e-9,
isotope='1,2,3',
wstep='auto',
pressure=1.01325 * u.bar,
Tgas=296 * u.K,
path_length=100 * u.cm,
databank='geisa', # GEISA-2020
verbose=False,
export_lines=True,
)
import matplotlib.pyplot as plt
plt.figure(figsize=(12,6))
s.plot("xsection", yscale='log', nfig='same')
s.line_survey()
GEISA database can be accessed as a Pandas DataFrame using fetch_geisa() :
from radis.io.geisa import fetch_geisa
df = fetch_geisa("H2O")
print(df)
wav int airbrd ... ierrT Tdpnself ierrU
0 0.052583 2.154000e-33 0.0923 ... 0.0 -0.99 -0.99
1 0.181997 2.486000e-35 0.0399 ... 0.0 -0.99 -0.99
2 0.184013 8.470000e-36 0.0399 ... 0.0 -0.99 -0.99
3 0.187637 5.255000e-29 0.0900 ... 0.0 -0.99 -0.99
4 0.363402 2.041100e-33 0.0800 ... 0.0 -0.99 -0.99
... ... ... ... ... ... ...
362217 25332.871900 8.100000e-28 0.1056 ... 0.0 -0.99 -0.99
362218 25333.215510 1.560000e-28 0.1078 ... 0.0 -0.99 -0.99
362219 25334.143900 4.750000e-28 0.0905 ... 0.0 -0.99 -0.99
362220 25335.071700 8.260000e-28 0.1102 ... 0.0 -0.99 -0.99
362221 25336.948790 7.170000e-29 0.1125 ... 0.0 -0.99 -0.99
[362222 rows x 31 columns]
鈿欙笍User-interface
- #467 radiance & emisscoeff units are now consistent with waverange unit ; i.e. plotting in
cm-1
will yield a default radiance in ~mW/cm2/sr/cm-1
while plotting innm
will yield a default radiance in~mW/cm2/sr/nm
@AllanHOlesenBW (major refactor under the hood) - #448 normalize options
- #471 line-survey works for multiple molecules
from radis import calc_spectrum
import astropy.units as u
s4 = calc_spectrum(1950 / u.cm, 1980 / u.cm,
mole_fraction={'CH4':1900e-9, 'CO2':400e-6},
isotope='1,2,3',
pressure=1.01325 * u.bar,
Tgas=296 * u.K,
path_length=100 * u.cm,
databank='geisa',
verbose=False,
export_lines=True)
s4.line_survey(overlay='abscoeff', barwidth=0.001)
馃弮 Performance improvement
- #464 : less RAM usage when generating ExoMol database files.
馃悰 Bug fixes
馃摑 Documentation
- #453
- #462 new Gallery Example : compare CO in HITRAN and GEISA
Detail
- fix emisscoeff units conversion by @erwanp in #455
- Fixes Hitemp whitespace parsing by @erwanp in #458
- Set input field instead dropdown by @arunavabasu-03 in #459
- Exomol api update by @erwanp in #464
- Normalize() return norm factor and units option by @CorentinGrimaldi in #448
- Fix/ci env by @erwanp in #468
- update linesurvey & plot by @erwanp in #466
- Add GEISA database by @TranHuuNhatHuy in #462
- Updated references.rst by @sonikarajesh in #453
- Add consistent units by @erwanp in #467
- geisa docs & line-survey by @erwanp in #471
Full Changelog: 0.12.1...0.13.0