strip newlines from compound names read from CCD

5c3c6fec · Maarten L. Hekkelman · f97e742d · 5c3c6fec
Commit 5c3c6fec authored Oct 29, 2021 by Maarten L. Hekkelman
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src/Compound.cpp
+3 -0

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--- a/src/Compound.cpp
+++ b/src/Compound.cpp
@@ -125,6 +125,9 @@ Compound::Compound(cif::Datablock &db)
 	cif::tie(mID, mName, mType, mFormula, mFormulaWeight, mFormalCharge) =
 		chemComp.front().get("id", "name", "type", "formula", "formula_weight", "pdbx_formal_charge");

+	// The name should not contain newline characters since that triggers validation errors later on
+	ba::replace_all(mName, "\n", "");
+
 	auto &chemCompAtom = db["chem_comp_atom"];
 	for (auto row : chemCompAtom)
 	{