load compound if needed

37f7dd06 · Maarten L. Hekkelman · e0777e74 · 37f7dd06
Commit 37f7dd06 authored Sep 15, 2021 by Maarten L. Hekkelman
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src/Structure.cpp
+6 -0

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--- a/src/Structure.cpp
+++ b/src/Structure.cpp
@@ -377,6 +377,12 @@ struct AtomImpl
 	
 	bool isWater() const
 	{
+		if (mCompound == nullptr)
+		{
+			try { comp(); }
+			catch (...) {}
+		}
+
 		return mCompound != nullptr and mCompound->isWater();
 	}