Skip to content

standardize_formula: handle ambiguous dash-hyphens pt.2 #267

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
rkingsbury merged 1 commit into from
Jul 22, 2025
Merged

standardize_formula: handle ambiguous dash-hyphens pt.2 #267

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
2 changes: 1 addition & 1 deletion src/pyEQL/utils.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -73,7 +73,7 @@ def standardize_formula(formula: str):
formula = formula.replace(char, rep)

# replace different types of dashes with a minus sign
for char in [r"‑", r"‐", r"‒", r"–", r"—"]: # noqa: RUF001
for char in [r"‑", r"‐", r"‒", r"–", r"—", r"−"]: # noqa: RUF001
formula = formula.replace(char, "-")

sform = Ion.from_formula(formula).reduced_formula
Expand Down
2 changes: 1 addition & 1 deletion tests/test_utils.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,7 @@ def test_standardize_formula():
assert standardize_formula("Mg⁺²") == "Mg[+2]"
assert standardize_formula("VO²⁺") == "VO[+2]"
assert standardize_formula("SO₄²⁻") == "SO4[-2]"
for dash in ["‑", "‐", "‒", "–", "—"]: # noqa: RUF001
for dash in ["‑", "‐", "‒", "–", "—", "−"]: # noqa: RUF001
assert standardize_formula(f"Cl{dash}") == "Cl[-1]"

assert standardize_formula("H2O") == "H2O(aq)"
Expand Down
Loading