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MAINT: Refactor _sample_phase_constitution #335

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bocklund
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@bocklund bocklund commented May 22, 2021

The rationale for this change is to remove Phase objects (and Database objects) from the core. Generally, the constituents of a Phase object may not be the same as the constituents of a Model object (they almost always are practically), so the core should use Model constituents so it can be decoupled from the database representation.

This is a potentially breaking change for anyone depending on this internal API.

This PR:

  • Changes the API of _sample_phase_constitution:
    • from _sample_phase_constitution(phase_name, phase_constituents, sublattice_dof, comps, variables, sampler, fixed_grid, pdens)
    • to _sample_phase_constitution(model, sampler, fixed_grid, pdens)
  • Documents Model.constituents as a step towards making the public API of Model objects better defined.
  • Deprecates generate_dof because it is no longer necessary and any "degree of freedom" counting can (and should) be done using a concrete Model

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codecov bot commented May 22, 2021

Codecov Report

Merging #335 (85bed10) into develop (29fa9b8) will decrease coverage by 0.29%.
The diff coverage is 78.94%.

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #335      +/-   ##
===========================================
- Coverage    84.55%   84.25%   -0.30%     
===========================================
  Files           45       45              
  Lines         4526     4529       +3     
===========================================
- Hits          3827     3816      -11     
- Misses         699      713      +14     
Impacted Files Coverage Δ
pycalphad/model.py 91.82% <ø> (ø)
pycalphad/core/utils.py 82.22% <20.00%> (-7.50%) ⬇️
pycalphad/core/calculate.py 93.06% <100.00%> (-0.08%) ⬇️
pycalphad/core/equilibrium.py 94.32% <100.00%> (ø)

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@bocklund bocklund requested a review from richardotis May 23, 2021 17:11
@bocklund bocklund merged commit 4e399bb into pycalphad:develop May 24, 2021
@bocklund bocklund deleted the MAINT-refactor-sample_phase_constitution branch May 24, 2021 02:00
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2 participants