Radis commits | Ecosyste.ms: OpenCollective

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

github.com/radis/radis - ec6c6d788c95de44cb9074f68fdf02932e70cb00 authored over 3 years ago

Merge branch 'benchmark' of https://github.com/anandxkumar/radis into benchmark

github.com/radis/radis - e3d6adc09d6d7e6da64bb4203a95ec9a0544db43 authored over 3 years ago

add truncation tests

fix a warning

github.com/radis/radis - 78ecbf787506cb3c0f9b9ee693dcdf5a30ddde16 authored over 3 years ago

Merge benchmark, fixed linting

github.com/radis/radis - 024fe1debb66998858eb936a6e0dda5264f6cb04 authored over 3 years ago

backward compatibility if loading old Spectrum with 'broadening_max_width'

improve an error message

github.com/radis/radis - 6cdde036583920bfe876b07b50a329c767051297 authored over 3 years ago

linting

github.com/radis/radis - 8cfadc694ca6f2908a4d2897eb955bd329f66f9b authored over 3 years ago

fix SpecDatabase.get(**conditions) when conditions contain None

github.com/radis/radis - 4c3afe0f2873b41cb2ea895fc0b2c38aaee58855 authored over 3 years ago

fix warning when highres & lowres spectra are inverted

github.com/radis/radis - 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

github.com/radis/radis - 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

github.com/radis/radis - a29d53d576a161bf6565e6bae9d8ee4177c8144d authored over 3 years ago

fix tests

github.com/radis/radis - 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...

github.com/radis/radis - 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...

github.com/radis/radis - dbb7631d165fad7ab1117e682a41022cd294400d authored over 3 years ago

use local database instead of downloaded one

github.com/radis/radis - 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 ...

github.com/radis/radis - cadf2231c6d590ee29636ed48d3f4e2053b707cc authored over 3 years ago

(wip)

github.com/radis/radis - 16a1d5e02ceaf809e2ca3d2e4ae3fc9f9d0896f7 authored over 3 years ago

Fix: Merge conflict, select min of truncation, neighbour_lines and update wavenumber_calc

github.com/radis/radis - 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

github.com/radis/radis - 1241f08432bc837cd0cfdd9ac03527dd0f1aabad authored over 3 years ago

(misc) fix missing minus-superscript glyph in Arial fonts

github.com/radis/radis - 57c7ad48d3490bfeb515eb0969fb0da5bd2a44bc authored over 3 years ago

include @CorentinGrimaldi 's review

github.com/radis/radis - 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

github.com/radis/radis - 69410b7bc95884437d441ad334ad6e84450bbcd9 authored over 3 years ago

fix

github.com/radis/radis - 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

github.com/radis/radis - a56571afb3fdd4a3658eb021005a356c1e310c74 authored over 3 years ago

fix last test

github.com/radis/radis - 92951675721fde79bba3741b29497f1f53cd0b98 authored over 3 years ago

add warning if interpolating low-res spectrum over a high-res

add test for resampling

github.com/radis/radis - 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...

github.com/radis/radis - 6af1887dff075e9bf492fa8a735f5336e70796a7 authored over 3 years ago

add a fix with s.trim() to resample spectra with nans

github.com/radis/radis - 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...

github.com/radis/radis - fa45069401b510c61f2e168c5ca85b9cded78937 authored over 3 years ago

update store/load_spec functions

ensures old files are properly read
update tests

github.com/radis/radis - 7164586531e9ef1dcc385e253d49334d80097b75 authored over 3 years ago

(clean) remove is_spectrum() function

github.com/radis/radis - 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...

github.com/radis/radis - 46c32785160e76a6adbf1525d9fc94e5eae4925c authored over 3 years ago

Fix: Merge conflict, select min of truncation, neighbour_lines and update wavenumber_calc

github.com/radis/radis - 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

github.com/radis/radis - 71a7478fd2e1bff49dc92d6cad53873f3a0a751d authored over 3 years ago

default config values were overriding user ones (expected the opposite). Fixed.

add seaborn in dependencies

github.com/radis/radis - 71996a3c4758f2ba43337af947583a220208b800 authored over 3 years ago

Minor test fix

github.com/radis/radis - 3bd86a8aeb2b51ad0fd29c8666e4d5ad691f8323 authored over 3 years ago

Fixed plot_fitting_method conflict

github.com/radis/radis - 4f815dadb2e9fbcb18703fe57b6dbfb4ee99d4e6 authored over 3 years ago

Updated truncation and neighbour_lines, and tests

github.com/radis/radis - 00abcdea8a41fd4438aee154eb3b1b64145e9565 authored over 3 years ago

Merge pull request #347 from MVAMULYA/develop

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

github.com/radis/radis - e1c57e4ade1d2b8f755603cc60e8d1320cbb1ab5 authored over 3 years ago

add missing default_radis.json file

always create radis.json if missing

github.com/radis/radis - 5fb9b16148cd5729fc2b1f909d93042491eb552a authored over 3 years ago

test

github.com/radis/radis - 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...

github.com/radis/radis - 70f6400ff0ccb96705886d7f7cfb1524311bb117 authored over 3 years ago

create user config file if missing

github.com/radis/radis - 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)

github.com/radis/radis - 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

github.com/radis/radis - ac6cc0c38980b09cb31167c7442e9872ae0a2536 authored over 3 years ago

Removed Broadening_max_width

github.com/radis/radis - 96292d8ce9bfb64b45dd0a96e94a500b4ca9f4cb authored over 3 years ago

Added arguement truncation and neighbour_lines

github.com/radis/radis - e788b423c0410e1a9b39f35f0b0b9b3c09c354f0 authored over 3 years ago

option to choose 'publib' or 'seaborn' in config.json > plotlib

github.com/radis/radis - 956d7aa77c08f416d8da7a54f6794afc1dc5a404 authored over 3 years ago

add convenience radis.test_spectrum() function

github.com/radis/radis - 4be4d36a9e1a9ac85961a51dedf0ead84723cf6a authored over 3 years ago

always auto-create config file if missing

Fixes doc tests of #342

github.com/radis/radis - df1c8447d42c8a0832b8de7337fe6097501386e2 authored over 3 years ago

config file as a parameter (for tests)

github.com/radis/radis - 26958965703d9449453961f37730901814522a63 authored over 3 years ago

add ~/radis.json example file

github.com/radis/radis - 6a83cfd0c3ca1375c95d25d2f371e9836d0e98b4 authored over 3 years ago

#300 - Modified codebase to use df.attrs instead of df._metadata

github.com/radis/radis - c4dfbebcf0c1c98d66d7ab9d73a55faf29a77529 authored over 3 years ago

Merge pull request #346 from erwanp/fix/misc_docs

Fix/misc docs

github.com/radis/radis - 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 )

github.com/radis/radis - 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

github.com/radis/radis - d65655765bf77e40a998dab5f6deddff5fb11ba2 authored over 3 years ago

fix fit_spectrum example not appearing

github.com/radis/radis - 8cdcab2ca9ec66c543ce81847c3a97e1249db1aa authored over 3 years ago

Revert "Replaced manually created 'df_metadata' dictionary with pandas in-built 'df.attrs'"

This reverts commit 7aa1329ca78143a21cf2159f8d6e77568a786285.

github.com/radis/radis - 445322ae7d0517e209ee262ff2a1c95fac61c20b authored over 3 years ago

Replaced manually created 'df_metadata' dictionary with pandas in-built 'df.attrs'

github.com/radis/radis - 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

github.com/radis/radis - 54a22c83702c13a6f73aef236822883f7c447a88 authored over 3 years ago

Merge branch 'develop' into add/auto-track-references

github.com/radis/radis - 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...

github.com/radis/radis - 90896ce123128d99a6e59cd45494ea1387fc1da7 authored over 3 years ago

Fixed Overpopulation Issue and positioning of Estimated calculation

github.com/radis/radis - 93efaf089532007a953b641b1dbec989f7e0ed70 authored over 3 years ago

Merge pull request #342 from erwanp/add/custom_abundances

Add custom abundances

github.com/radis/radis - c917d01ebe68555eae9d3073c35cd12c1b2f8647 authored over 3 years ago

Updated predict_time() and printing estimated time in calc_lineshape and calc_lineshape_DLM

github.com/radis/radis - 162108eae3ed567fab2e7c536216ade3119c3f4f authored over 3 years ago

Switched to broadening_method = voigt and broadening max width = 300 default

github.com/radis/radis - da0bc806c3fc5ea0847219b4352c1c6fe22a3b21 authored over 3 years ago

references preserved in s.copy(), MergeSlabs, SerialSlabs

github.com/radis/radis - e7070a62540b168554091ef6da4b02b361cf5755 authored over 3 years ago

add missing example

github.com/radis/radis - e13b113e31596de2f594864f22e1ebc96c12021d authored over 3 years ago

add references to habanero ; add habanero as requirement

github.com/radis/radis - 1a69b27022f94fffc7f4528758833b672250ea2b authored over 3 years ago

add example, update docs

github.com/radis/radis - baf42d11726d1dce10255ed92bd89d2abc6ac7d2 authored over 3 years ago

reads doi stored in json files of spectroscopic constants

github.com/radis/radis - 202c0dbfcd0ec2247dda04066006b8642cf8575b authored over 3 years ago

add doi in spectroscopic constant database

github.com/radis/radis - 83e51bb66d7b8e7ad4d31c34fba02539d6fa2d77 authored over 3 years ago

working POC for auto-addition of bib references within a calculated Spectrum

github.com/radis/radis - dffb459b75ab86f2a2a147e6b45be96a97288e0b authored over 3 years ago

fix example

github.com/radis/radis - ba7c3562268c9d4c3c7da4e66b8956521ee2c66f authored over 3 years ago

add: auto method for optimization in calc_spectrum

github.com/radis/radis - 8ab984ae265f1f70da768350ef65311f123c405c authored over 3 years ago

Add predict_time() in spectrum factory

github.com/radis/radis - 5f56dce8f753be7820869852a366e041c51f2420 authored over 3 years ago

add docs, add an example on custom abundances

github.com/radis/radis - 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...

github.com/radis/radis - 97bca502611708c9db7c43fce232d909c30390a5 authored over 3 years ago

(wip) implemented linestrength calculation from Einstein coefficients & abundances (at equilibrium)

github.com/radis/radis - 33c332fce3be8212e36331395861d4084f6a1e7d authored over 3 years ago

(refactor) Qgas calculation in noneq linesntregths

github.com/radis/radis - 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 ...

github.com/radis/radis - 9c2cc449efe7c2bc3d2ec6b0a438dc63efe26696 authored over 3 years ago

MolParam is a DatabankLoader parameter. Fixes #321

github.com/radis/radis - 79a4065973e1b9e141a8b48559fa25a2da0cc129 authored over 3 years ago

Merge pull request #281 from dcmvdbekerom/auto-fetch-hitemp

Auto fetch hitemp for CO2 & H2O

github.com/radis/radis - c18b53522c2ca1b6486d6f7828aa108f58691639 authored over 3 years ago

Merge pull request #341 from erwanp/fix/warnings-and-profiler

Fix/warnings and profiler

github.com/radis/radis - 3b86637ac86f4a42b2b593c5c8aaa24451aa55af authored over 3 years ago

show the UserWarning if duplicate ~/radis.json & ~/.radis . Fixes #327

github.com/radis/radis - 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...

github.com/radis/radis - 4e4d4922710da211ad209036604333e1cf0b22d2 authored over 3 years ago

removed file to metadata comparison if not loading the full file

github.com/radis/radis - 417a1c68bb29633ff56e93806645e17d1e2a9867 authored over 3 years ago

move hdf5 loading in HDF5Manager (for multi-engine mode)

update docs, update tests

github.com/radis/radis - dbecd476ba87086acdf521ec6edf5d572411fbc2 authored over 3 years ago

fix paths returned (fixes tests)

fix progressbar progression

github.com/radis/radis - 0ebbedd24c3078a42f2006c0ec595a251bcb12bc authored over 3 years ago

fix error when deleting temp folder

github.com/radis/radis - 7ca74c2a2f48d7c628fe673abd221ac83eebccba authored over 3 years ago

fix bug with out-of-range spectra

github.com/radis/radis - c77f8496a2dea452bcbd1f34508af939c4c34513 authored over 3 years ago

increase tolerance of comparison of spectra with/without jit-tabulated partition functions

fixes testss

github.com/radis/radis - 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!

github.com/radis/radis - 2663230cd5d1ba72f1b8e6f6cf9b5892d264ecce authored over 3 years ago

get url and Nlines from hitran.org

github.com/radis/radis - cd4a3ebed73083d921f63e47baed566b2ef21a7b authored over 3 years ago

same problem with H2O HITEMP database

github.com/radis/radis - b48d4e6c7302e1b5e5ba1e50d1ab12eb745367d3 authored over 3 years ago

(wip) keep only relevant files (for given wavenumber range)

github.com/radis/radis - c6a8ecf0326661080143ffccb26154b64bcb4328 authored over 3 years ago

re-add comparison with already registered database (if exists)

github.com/radis/radis - f3ec67154e63b9cd1f3fd53c3cbdee124a8284de authored over 3 years ago

add new tests (for #280), fixes tests

github.com/radis/radis - 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...

github.com/radis/radis - 6a29a29a106a3bda9c8dd20664c7e781ce0230fb authored over 3 years ago

set missing labelled values to -1. Fix #280

github.com/radis/radis - f178fe9f68315ec190bab9626eda1d53e89d153e authored over 3 years ago

add HDF5Manager to open/close HDF5 files and handle multiple engines

github.com/radis/radis - 191a0450effbc3e94b6747b9d582756fc70a6769 authored over 3 years ago