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Update error message to be more accurate
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kspieks committed Jan 6, 2024
1 parent ac1e0c2 commit 8b13d1e
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion astartes/samplers/extrapolation/scaffold.py
Original file line number Diff line number Diff line change
Expand Up @@ -30,7 +30,7 @@ class Scaffold(AbstractSampler):
def _before_sample(self):
# ensure that X contains entries that are either a SMILES string or an RDKit Molecule
if not all(isinstance(i, str) for i in self.X) and not all(isinstance(i, Chem.rdchem.Mol) for i in self.X):
msg = "Scaffold class requires input X to be an iterable of SMILES strings"
msg = "Scaffold class requires input X to be an iterable of SMILES strings, InChI strings, or RDKit Molecules"
raise TypeError(msg)

def _sample(self):
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