chore: deprecate setScatteringFactorTableByType

[zmx27]

Closes #21

[zmx27]

@sbillinge I gave my best attempt at this issue. Here is what I did:

• added a wrapper that emits a DeprecationWarning that also keeps the original behavior
• updated the test to assert a DeprecationWarning when the deprecated method is called
• verified there are no other valid references to the setScatteringFactorTableByType method besides the wrapper and the test (there is a call to this method that is commented out, but I didn't count that)

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 98.52%. Comparing base (cd4e94e) to head (80fa501).
⚠️ Report is 7 commits behind head on main.

Additional details and impacted files

@@           Coverage Diff           @@
##             main      #78   +/-   ##
=======================================
  Coverage   98.51%   98.52%           
=======================================
  Files          20       20           
  Lines        3235     3248   +13     
=======================================
+ Hits         3187     3200   +13     
  Misses         48       48           

Files with missing lines	Coverage Δ
tests/test_debyepdfcalculator.py	99.39% <100.00%> (+0.05%)	⬆️

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[sbillinge]

Thanks so much @zmx27 this is great! I don't have a very good way of checking if the code is good or not, but if you can make the tests as I suggest and they pass I guess it is fine!

Please

1. update the error message from "future release" to give the release number of the next major release....2.0.0 or whatever.
2. make an issue to remove the capability that has been deprecated. We will have to make a milestone for that major release and we can link that issue to it.
3. write the tests as requested and make sure they are passing, then let me know. I am not acutally sure how we test the cpp code but figure that out if you would and let m eknow.

Again, gthanks so much.

[sbillinge]

let's give an example of the exact syntax in this help message, as you did in the comment above. But this will be more visible to users.

[sbillinge]

this test is good. However, do we also need to run a test where this is done using the new way? We want to make sure that

1. the functionality works with the new syntax (it may be tested elsewhere, but just check)
2. the functionality works with the old syntax
3. the old syntax triggers the deprecation warning
4. the new syntax doesn't trigger the deprecation warning

[zmx27]

@sbillinge ready for review

[sbillinge]

Please confirm that you have made an issue in diffpy.srfit to change the call to the new API

[sbillinge]

Looks good. Please make an issue to remove this method and the tests and I will attach it to a 2.0.0 milestone.

Also, please make an issue in srfiit to change how it is handled in there (and make a PR if possible). Finally, make an issue in diffpy.cmi to check examples for any uses and update them.

Thanks so much.

[zmx27]

I confirm that an issue has been created in diffpy.srfit and diffpy.cmi to look for calls to setScatteringFactorTableByType and update them to the new API. I also confirm that an issue has been made in srreal to remove this method and its corresponding tests.