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Raise ValueError for conflicting pH and H+ #205

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Raise ValueError for conflicting pH and H+ #205

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dec03d0
Raise ValueError for conflicting pH and H+
gnuhpdiem Nov 14, 2024
09dd817
Move code to for loop and add standardize_formula check
gnuhpdiem Nov 15, 2024
7962739
add another branch and tests for the conditional
gnuhpdiem Dec 11, 2024
ec358c2
Merge branch 'main' into double-setting-pH
rkingsbury Dec 11, 2024
8f79a1b
Merge branch 'main' into double-setting-pH
rkingsbury Dec 11, 2024
cb59458
Merge branch 'main' into double-setting-pH
rkingsbury Dec 11, 2024
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5 changes: 5 additions & 0 deletions src/pyEQL/solution.py
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Original file line number Diff line number Diff line change
Expand Up @@ -249,6 +249,11 @@
self._solutes = solutes
if self._solutes is None:
self._solutes = {}

# if user specifies non-default pH AND has H+ in solutes
if self._pH != 7 and "H+" in self._solutes:
raise ValueError("Cannot specify both a non-default pH and H+ at the same time. Please provide only one.")

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if isinstance(self._solutes, dict):
for k, v in self._solutes.items():
self.add_solute(k, v)
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