Skip to content

Comments

PDF extensions#31

Merged
suchanj merged 12 commits intomainfrom
xpdf
Oct 14, 2025
Merged

PDF extensions#31
suchanj merged 12 commits intomainfrom
xpdf

Conversation

@suchanj
Copy link
Collaborator

@suchanj suchanj commented Sep 29, 2025

Closes #16, #30

@suchanj suchanj self-assigned this Sep 29, 2025
@suchanj suchanj added the enhancement New feature or request label Sep 29, 2025
@suchanj
Copy link
Collaborator Author

suchanj commented Sep 29, 2025

Note: The PDF's from UED and XRD slightly differ. Verify that this is expected behavior based on different signal types.

Using the same definitions as in UED case
@suchanj suchanj linked an issue Sep 29, 2025 that may be closed by this pull request
@suchanj suchanj requested a review from JanosJiri September 29, 2025 12:39
@suchanj
Copy link
Collaborator Author

suchanj commented Sep 29, 2025

Ok so I have:

  • Added the optionality to choose rPDF (default), PDF or 1/rPDF via the --pdf-mode flag (and updated plotting, export and README)
  • Implemented the PDF for XRD in the same way as in UED
  • Simplified the code by moving the calc_single, calc_difference, calc_trajectory, calc_ensemble functions into the BaseDiffractionCalculator class, which is inherited by XRD and UED
    @JanosJiri its quite a lot of changes but could you take a look once you're available? no rush

Copy link
Collaborator

@JanosJiri JanosJiri left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

🔥🔥🔥Awesome work!!! 🔥🔥🔥

Just some small modification suggested.

@JanosJiri JanosJiri added this to the v1.1.0 milestone Oct 9, 2025
@suchanj suchanj merged commit 8de02a5 into main Oct 14, 2025
4 checks passed
@suchanj suchanj deleted the xpdf branch October 14, 2025 13:34
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

enhancement New feature or request

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1/rPDF, PDF, rPDF definitions PDF for XRD

2 participants