[Jmol-developers] [ jmol-Bugs-1106664 ] Rebond fails on Mopac file with structure in xy plane

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Bugs item #1106664, was opened at 2005-01-21 13:27
Message generated for change (Comment added) made by nicove
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Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Submitted By: Egon Willighagen (egonw)
Assigned to: Nobody/Anonymous (nobody)
Summary: Rebond fails on Mopac file with structure in xy plane

Initial Comment:
FileManager.openFile(/home/egonw/data/Projects/SourceForge/Jmol/Jmol-HEAD/samples/mopac/mopac2002-h2o-vib.out) 
SmarterJmolAdapter:The Resolver thinks:Mopac 
H 0.0 0.0 0.0 
O 0.776936 0.54828405 0.0 
H 1.536404 -0.02388994 -6.0E-6 
H 0.0 0.0 0.0 
O 0.950945 0.0 0.0 
H 1.2399515 0.9059844 0.0 
H -0.91391104 -0.050686996 0.0 
O 0.037034 -0.050686996 0.0 
H 0.32604003 0.85529697 0.0 
openFile(/home/egonw/data/Projects/SourceForge/Jmol/Jmol-HEAD/samples/mopac/mopac2002-h2o-vib.out) 
3 ms 
sequential bspt order 
time to build bspf=0 ms 
java.lang.NullPointerException 
        at org.jmol.bspt.Bspf.stats(Bspf.java:65) 
        at 
org.jmol.viewer.Frame.initializeBspf(Frame.java:1035) 
        at 
org.jmol.viewer.Frame.rebond(Frame.java:1124) 
        at 
org.jmol.viewer.Frame.doAutobond(Frame.java:1097) 
        at org.jmol.viewer.Frame.<init>(Frame.java:191) 
        at 
org.jmol.viewer.ModelManager.setClientFile(ModelManager.java:72) 
        at 
org.jmol.viewer.Viewer.openClientFile(Viewer.java:1020) 
        at org.jmol.viewer.Viewer.getOpenFileError1
(Viewer.java:993) 
        at 
org.jmol.viewer.Viewer.getOpenFileError(Viewer.java:978) 
        at org.jmol.viewer.Eval.load(Eval.java:1656) 
        at 
org.jmol.viewer.Eval.instructionDispatchLoop(Eval.java:349) 
        at org.jmol.viewer.Eval.run(Eval.java:289) 
        at java.lang.Thread.run(Thread.java:534) 
  

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>Comment By: Nicolas (nicove)
Date: 2005-01-21 14:57

Message:
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I'm not sure it is your change, but it is definitiley a change 
made in the last month. But probably, since Miguel doesn't 
have a problem.

I don't think it is related to the other bug : the other bug is 
just that the Resolver reads 4 non empty lines to decide 
which reader to use, and it fails to work properly if it can't 
find 4 lines.

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Comment By: Egon Willighagen (egonw)
Date: 2005-01-21 14:47

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Yes, it has to do something with my change... my problem 
is, however, that all other files are working... 
 
In this file, each model has only one atom... and I think 
there are three models in the file... the previous Mopac 
reader would read this as one model with 9 atoms... 
 
Might this be related to bug [ 1100748 ] loadinline error on 
less than 3 atoms? 

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Comment By: Nicolas (nicove)
Date: 2005-01-21 14:41

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Same problem on my w2k pc (with your modified reader)

For info, it was working at the beginning of the month : I 
tested every sample. The only exception was with Aces.

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Comment By: Egon Willighagen (egonw)
Date: 2005-01-21 14:20

Message:
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HEAD too, with modified MOPAC reader, which I just 
commited... the other MOPAC files are fine, and can find 
nothing wrong with the reading... 

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Comment By: Miguel (migueljmol)
Date: 2005-01-21 14:12

Message:
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Egon,

Which version were you using? 

This works for me using HEAD


Miguel


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