Merged
Conversation
Contributor
Author
|
Right - see note 1 in the PR comment above. I have a patch for master branch in structcol, but it will have to wait until this PR is merged. |
Collaborator
|
In that case, looks good to me! |
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.

This PR vectorizes the calculations, meaning that most of the functions in the package can now take an array of size parameters representing (for example) different wavelengths. The vectorization takes advantage of NumPy broadcasting, so that no additional Python loops are needed. This functionality should be useful in calculating spectroscopic quantities in the
structcolpackage. Spectroscopic quantities can now in principle be calculated without looping over wavelengths, which should allow for vectorized (and therefore faster) Monte Carlo calculations.Additional changes
_cross_sections_complex_medium_sudiarta()that led to negative absorption cross sections and discrepancies in the scattering cross sections from those reported by_cross_sections_complex_medium_fu(). The cross sections calculated from the two methods now agreescipy.special.spherical_jnandscipy.special.spherical_yninstead ofscipy.special.riccati_jnandscipy.special.riccati_yn. Thespherical_functions can accept vector argumentspyproject.tomlto specify dependencies and installation parameters for setuptools (deleted oldsetup.py). UpdatedREADME.mdto give installation instructions usingpip.Notes
structcolbut I have a patch that I will submit as soon as this PR is resolved.structcoland may need to be marked for deprecation (or deleted from the package). I filed an issue (Remove unused functions #16)