d_to_q, q_to_d #197
Merged
d_to_q, q_to_d #197
Conversation
This file contains 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
yucongalicechen
commented
Dec 5, 2024
yucongalicechen
commented
Dec 5, 2024
sbillinge
reviewed
Dec 6, 2024
src/diffpy/utils/transforms.py
Outdated
| The units for the q-values are the inverse of the units of the provided wavelength. | ||
| This is the correct format for loading into diffpy.utils.DiffractionOject.on_q | ||
| This is the correct format for loading into diffpy.utils.DiffractionObject.on_q. |
src/diffpy/utils/transforms.py
Outdated
| The array of :math:`d` values np.array([ds]). | ||
| """ | ||
| if 0 in q: | ||
| raise ValueError(invalid_input_emsg) |
There was a problem hiding this comment.
just make this np.inf but also give a warning message that the largest d is infinite and can't be plotted? Something like that?
|
@sbillinge updated. please review again. |
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #197 +/- ##
==========================================
- Coverage 96.53% 94.17% -2.37%
==========================================
Files 8 8
Lines 289 309 +20
==========================================
+ Hits 279 291 +12
- Misses 10 18 +8
|
bobleesj
reviewed
Dec 6, 2024
src/diffpy/utils/transforms.py
Outdated
| invalid_input_emsg = ( | ||
| "Input values have resulted in an infinite output. Please ensure there are no zeros in the input." | ||
| ) | ||
| inf_output_msg = "WARNING: The largest output is infinite and cannot be plotted." |
There was a problem hiding this comment.
@sbillinge out of curiosity,
for both error and warning messages, do we still want to maintain our convention of 1) reason for error, (2) what to do to fix it ?
There was a problem hiding this comment.
I tweaked this a bit and downgraded it to an INFO from a WARNING....don't want users to freak out....
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.
closes #176
@sbillinge ready for review