0.14 #532

anandxkumar · 2022-11-07T20:46:41Z

Description

The major release 0.14 after 0.13, brings essential fixes to the interface, and the final implementations of the Google Summer of Code 2022 new features with gallery examples.

Main changes :

non air mixtures automatically taken into account when using Hitran Non air diluent 2 #495
fitting modules examples Implement all new fitting modules and accompanied gallery examples into RADIS #520
Radis now uses a common API with Exojax to fetch databases

What's Changed

Features:

Implement all new fitting modules and accompanied gallery examples into RADIS by @TranHuuNhatHuy in Implement all new fitting modules and accompanied gallery examples into RADIS #520
add explicit warning/error message if line with 0-cm-1 broadening by @erwanp in add explicit warning/error message if line with 0-cm-1 broadening #524
Allow astropy units to be used in crop() by @TranHuuNhatHuy in Allow astropy units to be used in crop() #526
Removing completed TODO in radis/lbl/calc.py by @mdrodelo in Removing completed TODO in radis/lbl/calc.py #527
Add/common api by @erwanp in Add/common api #480
Non air diluent 2 by @Supriya1702 in Non air diluent 2 #495
number of trans files in H3O_p/Exomol error manually fixed by @HajimeKawahara in number of trans files in H3O_p/Exomol error manually fixed #531

Docs:

Additional illustrative gallery examples for new fitting module by @TranHuuNhatHuy in Additional illustrative gallery examples for new fitting module #522
Add some small docs/examples by @TranHuuNhatHuy in Add some small docs/examples #518

New Contributors

@mdrodelo made their first contribution in Removing completed TODO in radis/lbl/calc.py #527
@HajimeKawahara made their first contribution in number of trans files in H3O_p/Exomol error manually fixed #531

Full Changelog: 0.13.1...0.14

…_diluent_2

…ccording to molefraction

…spectrum

Add some small docs/examples

Implement all new fitting modules and accompanied gallery examples into RADIS

…error if molefracton sum of molecule and diluent isn't 1

… if mulitple then dictionary

Fixes #521

…and appropriate "gtol" parameter [[Variables]] Tgas: 1000.54631 +/- 18.6202112 (1.86%) (init = 700)

…into newfitting

add explicit warning/error message if line with 0-cm-1 broadening

…ssed

…n-api

See mamba-org/mamba#1975

Add/common api for ExoJax/Radis HajimeKawahara/exojax#272

Non air diluent 2

Additional illustrative gallery examples for new fitting module

Thanks! Co-authored-by: Erwan Pannier <erwan.pannier@gmail.com>

number of trans files in H3O_p/Exomol error manually fixed

codecov-commenter · 2022-11-07T20:59:13Z

Codecov Report

Merging #532 (0ea4672) into master (23b2533) will decrease coverage by 0.82%.
The diff coverage is 58.04%.

Additional details and impacted files

@@            Coverage Diff             @@
##           master     #532      +/-   ##
==========================================
- Coverage   74.53%   73.71%   -0.83%     
==========================================
  Files         140      144       +4     
  Lines       19141    19592     +451     
==========================================
+ Hits        14267    14442     +175     
- Misses       4874     5150     +276

erwanp

I slightly updated the text, merging!

Supriya1702 and others added 30 commits August 13, 2022 14:44

Modifying calc_spectrum and SpectrumFactory to add diluent parameter

b50182d

Updated pressure_broadening_HWHM for non-air diluents

0546d22

Fixed Linting

f293473

removed unwanted column from columns_2004

221a189

Merge branch 'develop' of https://github.com/radis/radis into non_air…

4692bc5

…_diluent_2

Added broadening coefficient list

658b76e

Added _generate_diluent_molefraction() function to compute diluents a…

a59b353

…ccording to molefraction

Added calc.py changes, added diluent_other_than_air globally in calc_…

a0480a1

…spectrum

removed df and added diluent_broadening_coeff in broadening calculations

374df16

add some tiny doc/example

40611aa

Merge pull request #518 from TranHuuNhatHuy/develop

3465180

Add some small docs/examples

re-push all commits in old PR to this new PR

9541fb6

Merge pull request #520 from TranHuuNhatHuy/newfitting

c27a6eb

Implement all new fitting modules and accompanied gallery examples into RADIS

add Mr. Minou's case with a trimmed MAT file

9e85b3b

add example: comparison of old/new fitting

c3dce8e

Set diluent=None as default which equals to 1- molefraction, raising …

a474687

…error if molefracton sum of molecule and diluent isn't 1

Updated calc.py and broadening.py file

ad9cd26

Added MoleFractionError class

31fcbfc

Adding _generate_diluent_molefraction in eq_spectru_gpu

15071f8

allow plotting to be completely shut down

1194c53

add benchmarking example - method comparison

ae4b2d6

Set diluent default as 'air', now a single string diluent is allowed,…

b52c3ec

… if mulitple then dictionary

Fixes test_gpu.py

ce39a07

trim long text, add docstring functions and links

01cff76

add explicit warning/error message if line with 0-cm-1 broadening

1511297

Fixes #521

playing around, managed to get uncertainties by using "least-square" …

14c919c

…and appropriate "gtol" parameter [[Variables]] Tgas: 1000.54631 +/- 18.6202112 (1.86%) (init = 700)

add a plethora of docstring func, minigallery,

0978832

Merge branch 'newfitting' of https://github.com/TranHuuNhatHuy/radis …

7761999

…into newfitting

Merge pull request #524 from erwanp/2209/fix_521

8e926b8

add explicit warning/error message if line with 0-cm-1 broadening

Added tests in test_calc.py and test_factory.py

5bc1c80

HajimeKawahara and others added 25 commits October 1, 2022 19:17

made set_broadenings compatible both vaex and pandas DataFrames

cad6048

assume dictionary as input for unknown DF (implicitly assuming jax)

b75181d

modified inputs in set_broadening

a5712a3

bug fix in loading multiple transition files

8a73f40

redefined set_broadening to store values in data frame and test/io pa…

954e041

…ssed

added self.molmass in MdbExomol instance

1598b31

Merge remote-tracking branch 'upstream/add/common-api' into add/commo…

c22f8e5

…n-api

fix some abspath problems and improve error messages

a7c3920

fix

9cfd8ff

show CI info

45faa9c

Revert to micromamba 0.25 to fix CI

f178a4f

See mamba-org/mamba#1975

add missing code from ef8cb92

d672a93

linting

ad1d6b0

Merge pull request #480 from radis/add/common-api

90bb08d

Add/common api for ExoJax/Radis HajimeKawahara/exojax#272

Merge pull request #495 from Supriya1702/non_air_diluent_2

c9e7ff4

Non air diluent 2

delete this file as it will be moved to radis-benchmark

4f86a24

Merge branch 'radis:develop' into newfitting

62e874c

trim comments, update astropy units in all examples

61bffc6

add algorithm benchmark link

576b49e

Merge pull request #522 from TranHuuNhatHuy/newfitting

c027eea

Additional illustrative gallery examples for new fitting module

number of trans files in H3O_p/Exomol error manually fixed

5c7db1a

Update radis/api/exomolapi.py

d4efce4

Thanks! Co-authored-by: Erwan Pannier <erwan.pannier@gmail.com>

Merge pull request #531 from radis/h3o_plus

43e0cca

number of trans files in H3O_p/Exomol error manually fixed

Prepare verion 0.14

c03755c

Added H2CS molecule in Exomol list

0ea4672

anandxkumar requested a review from erwanp November 7, 2022 20:47

erwanp approved these changes Nov 8, 2022

View reviewed changes

erwanp merged commit 73e4b9e into master Nov 8, 2022

HajimeKawahara mentioned this pull request Nov 8, 2022

tests prior to the release process HajimeKawahara/exojax#312

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0.14 #532

0.14 #532

anandxkumar commented Nov 7, 2022 •

edited by erwanp

codecov-commenter commented Nov 7, 2022

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0.14 #532

0.14 #532

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anandxkumar commented Nov 7, 2022 • edited by erwanp

Description

What's Changed

New Contributors

codecov-commenter commented Nov 7, 2022

Codecov Report

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anandxkumar commented Nov 7, 2022 •

edited by erwanp