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[ENH] Add atomic scattering factors#174

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lmmentel merged 5 commits intomasterfrom
enh/atomic-scattering-factors
Aug 17, 2024
Merged

[ENH] Add atomic scattering factors#174
lmmentel merged 5 commits intomasterfrom
enh/atomic-scattering-factors

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@lmmentel lmmentel commented Aug 15, 2024

Add new model ScatteringFactor with atomic scattering factors from this data source suggested by @goodwin2208 in #173.

Elements now have an additional property named scattering_factors that returns a list of ScatteringFactor instances for that element. For example:

>>> from mendeleev import Fe
>>> Fe.scattering_factors
[Z=26 E=10.0 f1=-9999.0 f2=1.37852,
 Z=26 E=10.1617 f1=-9999.0 f2=1.42961,
 Z=26 E=10.3261 f1=-9999.0 f2=1.48259,
 Z=26 E=10.4931 f1=-9999.0 f2=1.53754,
 Z=26 E=10.6628 f1=-9999.0 f2=1.59453,
 Z=26 E=10.8353 f1=-9999.0 f2=1.65362,
 Z=26 E=11.0106 f1=-9999.0 f2=1.71491,
 Z=26 E=11.1886 f1=-9999.0 f2=1.77847,
 Z=26 E=11.3696 f1=-9999.0 f2=1.84438,
...

ScatteringFactor has following attributes:

  • atomic_number
  • energy
  • f1
  • f2

closes #173

@lmmentel lmmentel added enhancement New feature or request data Data update labels Aug 15, 2024
@lmmentel lmmentel self-assigned this Aug 15, 2024
@lmmentel lmmentel mentioned this pull request Aug 17, 2024
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@lmmentel lmmentel merged commit dfe91eb into master Aug 17, 2024
@lmmentel lmmentel deleted the enh/atomic-scattering-factors branch August 17, 2024 12:47
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