Revision: 18435
http://sourceforge.net/p/jmol/code/18435
Author: hansonr
Date: 2013-07-05 17:26:35 +0000 (Fri, 05 Jul 2013)
Log Message:
-----------
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/quantum/NMRCalculation.java
Modified: trunk/Jmol/src/org/jmol/quantum/NMRCalculation.java
===================================================================
--- trunk/Jmol/src/org/jmol/quantum/NMRCalculation.java 2013-07-05 17:00:01 UTC
(rev 18434)
+++ trunk/Jmol/src/org/jmol/quantum/NMRCalculation.java 2013-07-05 17:26:35 UTC
(rev 18435)
@@ -230,7 +230,7 @@
*/
private double getIsotopeData(Atom a, int iType) {
int iso = a.getIsotopeNumber();
- String sym = a.getElementSymbol();
+ String sym = a.getElementSymbolIso(false);
double[] d = isotopeData.get(iso == 0 ? sym : "" + iso + sym);
return (d == null ? 0 : d[iType]);
}
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