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Commit d4b711ad authored by James Graham's avatar James Graham
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Add proper error message if resname is not in database

parent 26f83ed0
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......@@ -96,7 +96,10 @@ class PDB2LMP:
atnum = 0
for i, mol in enumerate(self.coords.molecules):
dbmol = self.moldb.molecules[mol.name]
try:
dbmol = self.moldb.molecules[mol.name]
except KeyError as e:
raise KeyError("Residue name {0} does not exist in residue database.".format(e)) from None
try:
nextmol_name = self.coords.molecules[i+1].name
except IndexError:
......
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