ok, I'm on to it.
[EMAIL PROTECTED] wrote:
De: René Kanters <[EMAIL PROTECTED]>
spartan/benzenevib.smol
just opening this one gives:
FileManager.openFile(/Users/rkanters/Projects/Eclipse/Jmol-datafiles/
spartan/benzenevib.smol)
SmarterJmolAdapter:The Resolver thinks:SpartanSmol
Reading BEGINARCHIVE GEOMETERY atom records...
Reading PROPARC properties records...
reading VIBFREQ vibration records: freqCount = 30
java.lang.ArrayIndexOutOfBoundsException: 256
at org.jmol.adapter.smarter.SpartanSmolReader.readVibFreqs
(SpartanSmolReader.java:186)
I don't have to look much into it but here's the explanation: the Spartan Smol
reader is directly accessing the AtomSetCollection fields instead of using the
methods.
The methods check that the size of the internal arrays is big enough before
changing the values, by accessing the atoms[] directly this check is not made.
Hence the error when reaching atom number = 256
If anyone has time to fix the reader.
Nico
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