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Implement quick calculation #85

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@yucongalicechen

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@yucongalicechen

(I can split the issues later if that's easier)

  • In a "data" folder: (1) store precomputed data 1/cve for muD=1 (as an .xy file), (2) store coefficient list in a csv file.
  • In a new module "fast_cve":
  • (1) Define global variables: angles from 1-180 degrees, sparse dataset muD list and coefficient list, an interpolation function based on these coefficients.
  • (2) A function (and its test function) that reads in the muD and uses the interpolation function to predict the cve curve, and interpolates it onto user's tth (similar to compute_cve in functions.py).
  • (3) A function (and its test function) similar to apply_corr that returns the corrected intensities.
  • In labpdfprocapp.py: change default behavior to using fast_cve but give an optional command -b to enable brute-force calculation (raise an error if muD < 0.5 or muD > 6?).

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