Hmm. I'm not sure that's an efficient solution.
Much easier to use evaluate, as it returns the mathematical evaluation
directly. There should be no need to do anything with atoms. Also, you
would not want to use script(), as it is asynchronous. It is meant for the
applet and from user action, not for this sort of thing. You want
in JmolViewer:
abstract public String scriptWait(String script);
/**
* @param returnType "JSON", "string", "readable", and anything else
returns the Java object.
* @param infoType
* @param paramInfo
* @return property data -- see
org.jmol.viewer.PropertyManager.java
*/
abstract public Object getProperty(String returnType, String infoType,
Object paramInfo);
with returnType = null, infoType = "evaluate", and paramInfo your
expression.
The expression, for example, might be "3 + 5 * 8" or anything else that can
be used in the PRINT command.
The returned value will be an org.jmol.script.ScriptVariable, from which
its value can be extracted easily as its value or intValue.
So, for example:
import javajs.util.Lst
import org.jmol.script.SV
Lst<SV> xyzList = (Lst<SV>) SV.oValue((SV)vwr.getProperty(null,
"variableInfo", "[{*}.x.max, {*}.y.max, {*}.z.max]")));
float xmax = ((Float) SV.oValue(xyzlist.get(0))).floatValue();
...etc
Bob
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