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renlliang3

wdtools's Issues

Systematic shift in H-beta

Hello, I've noticed that there is a systematic shift of ~20 angstroms in the H-beta peak from center for all of the fits that I've done. Just as a test, we ran the same spectrum through wdmodel and this shift was not present there. I've attached a sample fit for reference. Not sure if this is an easily fixable issue or if others have experienced this as well.
sample_fit.pdf

improve the optimizer

nelder-mead is quite slow and inefficient. implement nonlinear least squares like LM to speed things up, and maybe even get a covariance matrix out of it. switch fitting to lmfit regardless to handle bounds. also, implement basinhopping or some similar global optimizer to replace the hot-cold rule of thumb.

air to vacuum conversions

We should incorporate a simple way to convert the baseline standard from air to vacuum wavelengths to accommodate different spectroscopic facilities.

failed to import GFP. only gaia subroutines will work

After 'python setup.py install' on a m2 chip MacOS in a python3.8.18 environment, "import wdtools" will show this "failed to import GFP. only gaia subroutines will work" message, causing error of "AttributeError: module 'wdtools' has no attribute 'GFP'" after calling "gfp = wdtools.GFP(resolution = 2, specclass = 'DA')".
Any solution to this matter? Thanks~

Specifying lines+rv_line when a spectrum does not cover Halpha

Hello, I was using the wdtools package and struggled for a an hour or so to realise the issue. When you insert a spectrum to the fit_spectrum routine and the spectrum does not have halpha in its wl range, the routine crashes.
I realised later that rv_line and lines both need to be changed as an input, but I think that it would be useful for the next person to either be told that by the code when wl does not cover the range of e.g. 6000-7000A at all, or to script the routine to choose a balmer line that is in the wl range input and ignore halpha from 'fit_spectrum(lines='.
From the first few uses, the library looks really efficient and useful, producing a Teff and logg that I was expecting for some spectra. thanks!

abandon the Balmer approach

this may be a tough one, but eventually, we should fit the entire spectrum and not just the Balmer lines. The level of sophistication here can be quite high, as in Narayan (2019).

implement CI pipeline

particularly to check dependencies and versions etc. could run a few simple fits and compare labels too to ensure the science side checks out.

emcee dies if the likelehood has NaNs

simple bug where emcee doesn't work properly if the parameters are near their bounds (when the prior goes to zero). need to fix this on the forward-modelling side.

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