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Add Entry.elements property#3226

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janosh merged 7 commits into
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entry-elements-prop
Aug 6, 2023
Merged

Add Entry.elements property#3226
janosh merged 7 commits into
masterfrom
entry-elements-prop

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@janosh

@janosh janosh commented Aug 5, 2023

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36219e4 add property elements to Entry class
11ec642 use new Structure.elements and Composition.elements properties across pymatgen
fc21570 add test_elements in TestPDEntry and TestTransformedPDEntry

@janosh janosh added enhancement A new feature or improvement to an existing one ux User experience labels Aug 5, 2023
janosh added 4 commits August 5, 2023 10:09
# normalization_factor, num_atoms should work from superclass
>       return self.__getattribute__(item)
E       AttributeError: 'MultiEntry' object has no attribute 'entry'
Signed-off-by: Janosh Riebesell <janosh.riebesell@gmail.com>
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codecov-commenter commented Aug 6, 2023

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Codecov Report

❌ Patch coverage is 90.66667% with 7 lines in your changes missing coverage. Please review.
✅ Project coverage is 74.57%. Comparing base (cfaecbd) to head (be8cc82).
⚠️ Report is 1604 commits behind head on master.

Files with missing lines Patch % Lines
pymatgen/analysis/chempot_diagram.py 66.66% 1 Missing ⚠️
pymatgen/analysis/structure_analyzer.py 66.66% 0 Missing and 1 partial ⚠️
pymatgen/apps/battery/battery_abc.py 50.00% 1 Missing ⚠️
pymatgen/electronic_structure/plotter.py 85.71% 0 Missing and 1 partial ⚠️
pymatgen/entries/entry_tools.py 0.00% 1 Missing ⚠️
pymatgen/io/shengbte.py 0.00% 1 Missing ⚠️
pymatgen/vis/structure_vtk.py 0.00% 1 Missing ⚠️
Additional details and impacted files
@@           Coverage Diff           @@
##           master    #3226   +/-   ##
=======================================
  Coverage   74.57%   74.57%           
=======================================
  Files         230      230           
  Lines       69489    69493    +4     
  Branches    16168    16166    -2     
=======================================
+ Hits        51820    51825    +5     
  Misses      14595    14595           
+ Partials     3074     3073    -1     

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@janosh janosh merged commit 9455830 into master Aug 6, 2023
@janosh janosh deleted the entry-elements-prop branch August 6, 2023 03:31
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