Revision: 18631
http://sourceforge.net/p/jmol/code/18631
Author: hansonr
Date: 2013-08-30 01:12:26 +0000 (Fri, 30 Aug 2013)
Log Message:
-----------
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/adapter/readers/more/JcampdxReader.java
trunk/Jmol/src/org/jmol/viewer/JSpecView.java
Modified: trunk/Jmol/src/org/jmol/adapter/readers/more/JcampdxReader.java
===================================================================
--- trunk/Jmol/src/org/jmol/adapter/readers/more/JcampdxReader.java
2013-08-29 15:55:40 UTC (rev 18630)
+++ trunk/Jmol/src/org/jmol/adapter/readers/more/JcampdxReader.java
2013-08-30 01:12:26 UTC (rev 18631)
@@ -331,6 +331,7 @@
Object spectrum = null;
try {
+ int offset = (isSignals ? 1 : 0);
String tag1 = (isSignals ? "Signals" : "Peaks");
String tag2 = (isSignals ? "<Signal" : "<PeakData");
String line = discardUntil(reader, tag1);
@@ -403,7 +404,7 @@
if (bs != null) {
String s = "";
for (int j = bs.nextSetBit(0); j >= 0; j = bs.nextSetBit(j + 1))
- s += "," + (j + 1);
+ s += "," + (j + offset);
int na = bs.cardinality();
nH += na;
stringInfo = simpleReplace(stringInfo, "%ATOMS%", s
Modified: trunk/Jmol/src/org/jmol/viewer/JSpecView.java
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/JSpecView.java 2013-08-29 15:55:40 UTC
(rev 18630)
+++ trunk/Jmol/src/org/jmol/viewer/JSpecView.java 2013-08-30 01:12:26 UTC
(rev 18631)
@@ -49,19 +49,24 @@
Hashtable<String, BS> htPeaks = viewer.modelSet.htPeaks;
for (int i = 0; i < peaks.size(); i++) {
String peak = peaks.get(i);
+ System.out.println("Jmol JSpecView.java peak=" + peak);
BS bsPeak = htPeaks.get(peak);
+ System.out.println("Jmol JSpecView.java bspeak=" + bsPeak);
if (bsPeak == null) {
htPeaks.put(peak, bsPeak = new BS());
String satoms = Parser.getQuotedAttribute(peak, "atoms");
String select = Parser.getQuotedAttribute(peak, "select");
+ System.out.println("Jmol JSpecView.java satoms select " + satoms + " "
+ select);
String script = "";
if (satoms != null)
script += "visible & (atomno="
+ TextFormat.simpleReplace(satoms, ",", " or atomno=") + ")";
else if (select != null)
script += "visible & (" + select + ")";
+ System.out.println("Jmol JSpecView.java script : " + script);
bsPeak.or(viewer.getAtomBitSet(script));
}
+ System.out.println("Jmol JSpecView bsPeak now : " + bsPeak + " " +
atomIndex);
if (bsPeak.get(atomIndex))
return peak;
}
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