I've found that scientific notation (such as 4.5E-4) does not work in
Jmol scripts. This somewhat problematic, in that, for isosurfaces,
one frequently deals with numbers that are not conveniently
represented in fixed precision decimals. I found it relatively easy
to generalize the Compiler.lookingAtDecimal method to handel
scientific notation, by modifing the subroutine to end as:
...
//well, guess what? we also have to look for 86.1Na, so...
// if (ch == '.' && (ichT + 2 < cchScript) &&
// (isAlphabetic(script.charAt(ichT + 2)) ||
script.charAt(ichT + 2) == '?'))
// return false;
++ichT;
while (ichT < cchScript && isDigit(script.charAt(ichT))) {
++ichT;
digitSeen = true;
}
//check for scientific notation
if (script.charAt(ichT) == 'E')
{
boolean isScientific = true;
if (ichT + 1 < cchScript && isDigit(script.charAt(ichT + 1)))
ichT=ichT + 1; //move to the exponent
else if (ichT + 2 < cchScript && script.charAt(ichT + 1) ==
'-' && isDigit(script.charAt(ichT + 2)))
ichT=ichT + 2; //move to the exponent
else
isScientific = false;
while (isScientific && ichT < cchScript &&
isDigit(script.charAt(ichT))) {
++ichT;
digitSeen = true;
}
}
cchToken = ichT - ichToken;
return digitSeen;
}
This handles number of the form 4.51E-4 and 4.51E4, etc. Note that,
as written, the 'E' has to be capitalized; this could be generalized,
if desired, but since Float.toString() returns a capital E, this
seemed consistent.
Note also that I have commented out the small chunk of code checking
for things of the form '86.1Na' because the check incorrectly flags
scientific notation numbers such as 4.5E-4, with only one number
after the decimal point. If I understood what that check was
intended to do, I'm sure i could make it more specific...
In any case, I think this would be a valuable addition to the stock
Jmol codebase. Any thoughts?
JR Schmidt
-------------------------------------------------------------------------
Using Tomcat but need to do more? Need to support web services, security?
Get stuff done quickly with pre-integrated technology to make your job easier
Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo
http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642
_______________________________________________
Jmol-developers mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-developers
