Hi all,
I was new to CDK.
I use netbean 6 and I wish to use the CDK in my program but faced some
problems.
I want to read .xyz file by using the XYZReader class,
The constructor was XYZReader(java.io.Reader input) and the method I found
was xyzreader.read(IChemObject object).
part of my code looks like:
try {
FileReader fr = new FileReader("***.xyz");
XYZReader xyzreader = new XYZReader(fr);
ichemobject2 = xyzreader.read(ichemobject);
}
catch (Exception e){
System.out.print("Exception");
}
There is always an exception.
I'm wondering what kind of ichemobject shall I use as the parameter and
where does it come from.
Actually I don't quite understand why the input parameter in
xyzreader.read(ichemobject) was needed.
Also, how can I get information about those atoms in .xyz file from
ichemobject2 as it seems to be an empty object in my program.
Thank you very much.
--
View this message in context:
http://www.nabble.com/Questions-about-IChemObject-and-XYZReader-tp17042726p17042726.html
Sent from the cdk-user mailing list archive at Nabble.com.
-------------------------------------------------------------------------
This SF.net email is sponsored by the 2008 JavaOne(SM) Conference
Don't miss this year's exciting event. There's still time to save $100.
Use priority code J8TL2D2.
http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone
_______________________________________________
Cdk-user mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/cdk-user
