add vald shortlist parsing as well as handling for wavelength in vacuum/air and nm/aa #386
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Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## master #386 +/- ##
==========================================
+ Coverage 68.54% 68.65% +0.11%
==========================================
Files 30 30
Lines 3608 3650 +42
==========================================
+ Hits 2473 2506 +33
- Misses 1135 1144 +9 ☔ View full report in Codecov by Sentry. |
jvshields
requested review from
wkerzendorf,
chvogl,
andrewfullard and
afloers
andrewfullard
approved these changes
Nov 20, 2023
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| self._vald_columns = ( | ||
| self.vald_shortlist_columns.copy() | ||
| if shortlist |
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I'm not a big fan of ternary operators, but I also won't argue strongly if you want to keep this one
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Check out this pull request on See visual diffs & provide feedback on Jupyter Notebooks. Powered by ReviewNB |
Knights-Templars
approved these changes
Dec 4, 2023
wkerzendorf
reviewed
Dec 5, 2023
wkerzendorf
reviewed
Dec 5, 2023
wkerzendorf
reviewed
Dec 5, 2023
carsus/conftest.py
Outdated
| @@ -103,7 +103,7 @@ def memory_session(): | |||
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| @pytest.fixture(scope="session") | |||
| def data_dir(): | |||
| return os.path.join(os.path.dirname(__file__), "tests", "data") | |||
| return Path(__file__).parent / "tests" / "data" | |||
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I would not make this a fixture but a single constant DATA_DIR_PATH
wkerzendorf
reviewed
Dec 11, 2023
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| # Need to identify the wavelength column header and overwrite the wavelength to obtain units and air or vacuum | ||
| # Also need to identify if Vmic is in the columns for correct column construction | ||
| for line in content.split("\n")[:10]: |
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make an issue about pattern matching.
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Created issue #389 as a future project idea. |
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📝 Description
Type: : 🚀
feature|This PR modifies the vald parser to add some extra functionality for more varied vald outputs.
There are some missed lines in codecov to account for if the units of the wavelengths are in nm instead of angstroms, but I can't cover them unless I upload more data files and I've been trying to be sparing with that. I can upload them and cover them if that'd be preferred.
🚦 Testing
☑️ Checklist
build_docslabel