d_to_q, q_to_d #197
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d_to_q, q_to_d #197
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yucongalicechen
commented
Dec 5, 2024
yucongalicechen
commented
Dec 5, 2024
sbillinge
reviewed
Dec 6, 2024
src/diffpy/utils/transforms.py
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| The array of :math:`q` values np.array([qs]). | ||
| 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
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| The array of :math:`d` values np.array([ds]). | ||
| """ | ||
| if 0 in q: | ||
| raise ValueError(invalid_input_emsg) |
Contributor
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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?
Contributor
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@sbillinge updated. please review again. |
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #197 +/- ##
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- Coverage 96.53% 94.17% -2.37%
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Files 8 8
Lines 289 309 +20
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+ Hits 279 291 +12
- Misses 10 18 +8
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bobleesj
reviewed
Dec 6, 2024
src/diffpy/utils/transforms.py
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| 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." |
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@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 ?
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I tweaked this a bit and downgraded it to an INFO from a WARNING....don't want users to freak out....
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closes #176
@sbillinge ready for review