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github.com/radis/radis

🌱 A fast line-by-line code for high-resolution infrared molecular spectra
https://github.com/radis/radis

fix index error with wstep float division, add test

(refactor) do not store full woutrange array, just store a tuple
add arange_len function, add tests

ec6c6d788c95de44cb9074f68fdf02932e70cb00 authored over 3 years ago
Merge branch 'benchmark' of https://github.com/anandxkumar/radis into benchmark

e3d6adc09d6d7e6da64bb4203a95ec9a0544db43 authored over 3 years ago
add truncation tests

fix a warning

78ecbf787506cb3c0f9b9ee693dcdf5a30ddde16 authored over 3 years ago
Merge benchmark, fixed linting

024fe1debb66998858eb936a6e0dda5264f6cb04 authored over 3 years ago
backward compatibility if loading old Spectrum with 'broadening_max_width'

improve an error message

6cdde036583920bfe876b07b50a329c767051297 authored over 3 years ago
linting

8cfadc694ca6f2908a4d2897eb955bd329f66f9b authored over 3 years ago
fix SpecDatabase.get(**conditions) when conditions contain None

4c3afe0f2873b41cb2ea895fc0b2c38aaee58855 authored over 3 years ago
fix warning when highres & lowres spectra are inverted

f87c878dc798725bf7830d58ce477df0de25db5f authored over 3 years ago
fix old test values to match Truncatino (half-width) with old Broadening_max_width (full width)

fix truncation not appearing in Spectrum conditions if None

b3ce45bb213a1106471f29b98c46976a54ebb0c6 authored over 3 years ago
fix tests

fix a bug when database contained 1 isotope in the spectral range but 2+ isotopes were asked

a29d53d576a161bf6565e6bae9d8ee4177c8144d authored over 3 years ago
fix tests

56358e2595f5550c43d0f47e4b18b215184cd601 authored over 3 years ago
simplify code that sums all lineshapes :

with new offset, no need to distinguish between lines in the range and lines outside the range wh...

f993939b6e088ec0fd70159e6f19a680dde30326 authored over 3 years ago
fix broadening implementation with truncation

works if truncation=None
fix truncation being half-with and not lineshape full width (in docstrin...

dbb7631d165fad7ab1117e682a41022cd294400d authored over 3 years ago
use local database instead of downloaded one

b3eba246e1978a99e9150001c2b16f60d7dc65bc authored over 3 years ago
fix problem with locale download_date that wasn't parsed properly

also minor refactor of register() function in HITEMPDatabaseMAnaager
add note that all registred ...

cadf2231c6d590ee29636ed48d3f4e2053b707cc authored over 3 years ago
(wip)

16a1d5e02ceaf809e2ca3d2e4ae3fc9f9d0896f7 authored over 3 years ago
Fix: Merge conflict, select min of truncation, neighbour_lines and update wavenumber_calc

fcc19dd840c0e0678deaa289aee16f8fb3e6354f authored over 3 years ago
Merge pull request #344 from erwanp/refactor/remove-conv-dict-in-spectrum

Refactor : remove separation of convolved / nonconvolved arrays in Spectrum

1241f08432bc837cd0cfdd9ac03527dd0f1aabad authored over 3 years ago
(misc) fix missing minus-superscript glyph in Arial fonts

57c7ad48d3490bfeb515eb0969fb0da5bd2a44bc authored over 3 years ago
include @CorentinGrimaldi 's review

f15a66532a93084684b5da2f1ba6092fe7cab015 authored over 3 years ago
raise an error if `wunit` not given when creating Spectrum with wavelength/wavenumber

add tests
renamed waveunit as wunit

69410b7bc95884437d441ad334ad6e84450bbcd9 authored over 3 years ago
fix

193a73302e8ba7f3a4a64e3868ec1b04102b37a4 authored over 3 years ago
raise an error if `wunit` not given when creating Spectrum with wavelength/wavenumber

add tests
renamed waveunit as wunit

a56571afb3fdd4a3658eb021005a356c1e310c74 authored over 3 years ago
fix last test

92951675721fde79bba3741b29497f1f53cd0b98 authored over 3 years ago
add warning if interpolating low-res spectrum over a high-res

add test for resampling

1603c1081e3335d3e4bf451e857db81eeb7372d4 authored over 3 years ago
fix resample if nans on each side of the array (trim)

add trim_nan parameter in Spectrum.get()
fast anynan() function
increased threshold for energy-co...

6af1887dff075e9bf492fa8a735f5336e70796a7 authored over 3 years ago
add a fix with s.trim() to resample spectra with nans

da096d95db7da115e857621f50beacf08a28ef3c authored over 3 years ago
new apply_slit(inplace=False) mode which only returns non-convolved arrays

new simpler Spectrum creation format Spectrum({"wavelength":w, "radiance":I})
new tests of spect...

fa45069401b510c61f2e168c5ca85b9cded78937 authored over 3 years ago
update store/load_spec functions

ensures old files are properly read
update tests

7164586531e9ef1dcc385e253d49334d80097b75 authored over 3 years ago
(clean) remove is_spectrum() function

2ebe03f4121a3a690011894d3e5e0010d22c19d6 authored over 3 years ago
remove ._q_conv attribute of Spectrum : all spectral arrays are stored together

(change in interface) arrays convolved with apply_slit keep the same length but have np.nans on t...

46c32785160e76a6adbf1525d9fc94e5eae4925c authored over 3 years ago
Fix: Merge conflict, select min of truncation, neighbour_lines and update wavenumber_calc

6feef618f3011b53e7426bca5a3c2d8b63449a0d authored over 3 years ago
Merge pull request #348 from erwanp/add/config-file-with-plotstyles

Add/config file with plotstyles and global parameters

71a7478fd2e1bff49dc92d6cad53873f3a0a751d authored over 3 years ago
default config values were overriding user ones (expected the opposite). Fixed.

add seaborn in dependencies

71996a3c4758f2ba43337af947583a220208b800 authored over 3 years ago
Minor test fix

3bd86a8aeb2b51ad0fd29c8666e4d5ad691f8323 authored over 3 years ago
Fixed plot_fitting_method conflict

4f815dadb2e9fbcb18703fe57b6dbfb4ee99d4e6 authored over 3 years ago
Updated truncation and neighbour_lines, and tests

00abcdea8a41fd4438aee154eb3b1b64145e9565 authored over 3 years ago
Merge pull request #347 from MVAMULYA/develop

Modified codebase to use df.attrs instead of df._metadata

e1c57e4ade1d2b8f755603cc60e8d1320cbb1ab5 authored over 3 years ago
add missing default_radis.json file

always create radis.json if missing

5fb9b16148cd5729fc2b1f909d93042491eb552a authored over 3 years ago
test

6e976dfbef1206a83374350261d47efa3b416c77 authored over 3 years ago
path work if using PathLib

fix format of HITEMP-spectra paths stored in Spectrum object
auto-clean plot_SpecDatabase generat...

70f6400ff0ccb96705886d7f7cfb1524311bb117 authored over 3 years ago
create user config file if missing

840da565ccb4e43617fe2ea7a5db6ec9610b2880 authored over 3 years ago
remove .params.py module ; add everything in radis.config (read from ~/radis.json with default values taken from radis/config.json)

01f717c5b3d3a78b2fa673fe422b1e0db1534b44 authored over 3 years ago
add support for "matplotlib" styles

add "context" for seaborn & publib
add a "none" style to keep existing styles
add an example

ac6cc0c38980b09cb31167c7442e9872ae0a2536 authored over 3 years ago
Removed Broadening_max_width

96292d8ce9bfb64b45dd0a96e94a500b4ca9f4cb authored over 3 years ago
Added arguement truncation and neighbour_lines

e788b423c0410e1a9b39f35f0b0b9b3c09c354f0 authored over 3 years ago
option to choose 'publib' or 'seaborn' in config.json > plotlib

956d7aa77c08f416d8da7a54f6794afc1dc5a404 authored over 3 years ago
add convenience radis.test_spectrum() function

4be4d36a9e1a9ac85961a51dedf0ead84723cf6a authored over 3 years ago
always auto-create config file if missing

Fixes doc tests of #342

df1c8447d42c8a0832b8de7337fe6097501386e2 authored over 3 years ago
config file as a parameter (for tests)

26958965703d9449453961f37730901814522a63 authored over 3 years ago
add ~/radis.json example file

6a83cfd0c3ca1375c95d25d2f371e9836d0e98b4 authored over 3 years ago
#300 - Modified codebase to use df.attrs instead of df._metadata

c4dfbebcf0c1c98d66d7ab9d73a55faf29a77529 authored over 3 years ago
Merge pull request #346 from erwanp/fix/misc_docs

Fix/misc docs

e4a15dab2f281f44d24b0a27700564e0a1b60c84 authored over 3 years ago
update suggested fix to HITEMP-CO2 unlabelled lines

(wasn't working anymore since the change from np.nan to -1 in f178fe9f )

b44ce7d7ff533c2eddc254f05dd9dd00fb05d1ee authored over 3 years ago
extra optims : copy_lines=False by default on s.take()

improve loading time : don't register git number at all in radis.version

d65655765bf77e40a998dab5f6deddff5fb11ba2 authored over 3 years ago
fix fit_spectrum example not appearing

8cdcab2ca9ec66c543ce81847c3a97e1249db1aa authored over 3 years ago
Revert "Replaced manually created 'df_metadata' dictionary with pandas in-built 'df.attrs'"

This reverts commit 7aa1329ca78143a21cf2159f8d6e77568a786285.

445322ae7d0517e209ee262ff2a1c95fac61c20b authored over 3 years ago
Replaced manually created 'df_metadata' dictionary with pandas in-built 'df.attrs'

7aa1329ca78143a21cf2159f8d6e77568a786285 authored over 3 years ago
Merge pull request #345 from erwanp/add/auto-track-references

Feature : show all references used to compute a Spectrum

54a22c83702c13a6f73aef236822883f7c447a88 authored over 3 years ago
Merge branch 'develop' into add/auto-track-references

81360d777841d1883d80b2e9573901caa1327896 authored over 3 years ago
Merge pull request #339 from erwanp/add/scaling_for_high_dimension_parsum_tabulation

add a scaling parameter to reduce the number of bins in high-dimension partition function tabula...

90896ce123128d99a6e59cd45494ea1387fc1da7 authored over 3 years ago
Fixed Overpopulation Issue and positioning of Estimated calculation

93efaf089532007a953b641b1dbec989f7e0ed70 authored over 3 years ago
Merge pull request #342 from erwanp/add/custom_abundances

Add custom abundances

c917d01ebe68555eae9d3073c35cd12c1b2f8647 authored over 3 years ago
Updated predict_time() and printing estimated time in calc_lineshape and calc_lineshape_DLM

162108eae3ed567fab2e7c536216ade3119c3f4f authored over 3 years ago
Switched to broadening_method = voigt and broadening max width = 300 default

da0bc806c3fc5ea0847219b4352c1c6fe22a3b21 authored over 3 years ago
references preserved in s.copy(), MergeSlabs, SerialSlabs

e7070a62540b168554091ef6da4b02b361cf5755 authored over 3 years ago
add missing example

e13b113e31596de2f594864f22e1ebc96c12021d authored over 3 years ago
add references to habanero ; add habanero as requirement

1a69b27022f94fffc7f4528758833b672250ea2b authored over 3 years ago
add example, update docs

baf42d11726d1dce10255ed92bd89d2abc6ac7d2 authored over 3 years ago
reads doi stored in json files of spectroscopic constants

202c0dbfcd0ec2247dda04066006b8642cf8575b authored over 3 years ago
add doi in spectroscopic constant database

83e51bb66d7b8e7ad4d31c34fba02539d6fa2d77 authored over 3 years ago
working POC for auto-addition of bib references within a calculated Spectrum

dffb459b75ab86f2a2a147e6b45be96a97288e0b authored over 3 years ago
fix example

ba7c3562268c9d4c3c7da4e66b8956521ee2c66f authored over 3 years ago
add: auto method for optimization in calc_spectrum

8ab984ae265f1f70da768350ef65311f123c405c authored over 3 years ago
Add predict_time() in spectrum factory

5f56dce8f753be7820869852a366e041c51f2420 authored over 3 years ago
add docs, add an example on custom abundances

66c1060f0778ceb1a764db845528090f46c942a1 authored over 3 years ago
implemented linestrength calculation from Einstein coefficients & abundances (at equilibrium)

add a test with custom abundance get/set functions
set s1==s2 to only compare spectra (and not co...

97bca502611708c9db7c43fce232d909c30390a5 authored over 3 years ago
(wip) implemented linestrength calculation from Einstein coefficients & abundances (at equilibrium)

33c332fce3be8212e36331395861d4084f6a1e7d authored over 3 years ago
(refactor) Qgas calculation in noneq linesntregths

3249a381f83ef9c71a8d85b7c456452598595202 authored over 3 years ago
- fix isotope missing in calc_reference_linestrengths (used in ExoMol routine)

- added linestrength scale/calculation test
- raise an error if calculating with non terrestrial ...

9c2cc449efe7c2bc3d2ec6b0a438dc63efe26696 authored over 3 years ago
MolParam is a DatabankLoader parameter. Fixes #321

79a4065973e1b9e141a8b48559fa25a2da0cc129 authored over 3 years ago
Merge pull request #281 from dcmvdbekerom/auto-fetch-hitemp

Auto fetch hitemp for CO2 & H2O

c18b53522c2ca1b6486d6f7828aa108f58691639 authored over 3 years ago
Merge pull request #341 from erwanp/fix/warnings-and-profiler

Fix/warnings and profiler

3b86637ac86f4a42b2b593c5c8aaa24451aa55af authored over 3 years ago
show the UserWarning if duplicate ~/radis.json & ~/.radis . Fixes #327

cfba98c72bf3ef1e9445c7217c582387c04222ef authored over 3 years ago
fix PerformanceWarnings triggering wrongly for iso column

fix perf of partition functions step not appearing properly in profiler
define profiler from Data...

4e4d4922710da211ad209036604333e1cf0b22d2 authored over 3 years ago
removed file to metadata comparison if not loading the full file

417a1c68bb29633ff56e93806645e17d1e2a9867 authored over 3 years ago
move hdf5 loading in HDF5Manager (for multi-engine mode)

update docs, update tests

dbecd476ba87086acdf521ec6edf5d572411fbc2 authored over 3 years ago
fix paths returned (fixes tests)

fix progressbar progression

0ebbedd24c3078a42f2006c0ec595a251bcb12bc authored over 3 years ago
fix error when deleting temp folder

7ca74c2a2f48d7c628fe673abd221ac83eebccba authored over 3 years ago
fix bug with out-of-range spectra

c77f8496a2dea452bcbd1f34508af939c4c34513 authored over 3 years ago
increase tolerance of comparison of spectra with/without jit-tabulated partition functions

fixes testss

03c7f78f5819c47d26671b3c6102c17f1934e22b authored over 3 years ago
check if databank exists before downloading

No fun to get this *after* spending an hour to download H2O-HITEMP!

2663230cd5d1ba72f1b8e6f6cf9b5892d264ecce authored over 3 years ago
get url and Nlines from hitran.org

cd4a3ebed73083d921f63e47baed566b2ef21a7b authored over 3 years ago
same problem with H2O HITEMP database

b48d4e6c7302e1b5e5ba1e50d1ab12eb745367d3 authored over 3 years ago
(wip) keep only relevant files (for given wavenumber range)

c6a8ecf0326661080143ffccb26154b64bcb4328 authored over 3 years ago
re-add comparison with already registered database (if exists)

f3ec67154e63b9cd1f3fd53c3cbdee124a8284de authored over 3 years ago
add new tests (for #280), fixes tests

2e21cb01fd9ac2ce711472482d306ee6a111ad0b authored over 3 years ago
updated parser to download/parse HITEMP with several files (for CO2 & H2O)

(refactor) added DatabaseManager class (basically a file manager); to make it easier to handle si...

6a29a29a106a3bda9c8dd20664c7e781ce0230fb authored over 3 years ago
set missing labelled values to -1. Fix #280

f178fe9f68315ec190bab9626eda1d53e89d153e authored over 3 years ago
add HDF5Manager to open/close HDF5 files and handle multiple engines

191a0450effbc3e94b6747b9d582756fc70a6769 authored over 3 years ago