JR,
OK, ok, I can get this right.
Hashtable info = new Hashtable();
info.put("volumetricOrigin",....); //Point3f
info.put("volumetricVectors",...); //Vector3f[3]
info.put("voxelCounts",...); //int[3]
info.put("voxelData",...); //float[][][]
all in Angstroms.
THEN,
viewer.getModelAuxiliaryInfo(0).put("jmolSurfaceInfo",info)
or
viewer.getModelAuxiliaryInfo(0).put("jmolMappedDataInfo",info)
depending upon what you want to do.
That said, all you really have to do is pass Jmol a string defining a
WebMO file using
viewer.loadInline("...[webMO data here]....")
and Jmol will do all this for you. No need for any of this volume stuff.
(I understand, though, you said separately that you wanted to do the
cube business yourself. That's fine -- this is just easier.)
Then just specify
viewer.script("mo 1")
viewer.script("mo 2")
etc.
Bob
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