Thanks Jules and Rajarshi,
Rajarshi:
> There isn't, but there should be.
It's my hope that a project like the CTR will encourage the different API
developers to improve the API so that common tasks like "reading molecules from
a structure file". :)
> @MDLiter For-loop:
...
> Would more cleanly be split into a init-line + while-loop, though I agree
> with Rajarshi that its odd that they're separate.
I'm really not a Java programmer. Should that be:
IteratingMDLReader mdliter = new IteratingMDLReader(sdfile,
DefaultChemObjectBuilder.getInstance();
while (mdliter.hasNext()) {
...
}
That does look nicer than the current for-loop, and I'll change it.
Also, what does CDK do if there's an error in one of the records? For example,
some of the other toolkits' readers skip bad records and report to stderr. If
CDK ignores bad records, is there a way to get the count of records skipped? If
CDK raises an exception, is there a way to ignore the error and keep on
processing?
> the CDK-style guidelines prefer longer variable names (though this is really
> more me being obsessive), so the "IAtom a" would look better as, for example,
> "IAtom atom" or even "IAtom currentAtom"
Being the type of person I am, I checked the actual practice ;)
95 matches to "IAtom a[^0-9a-zA-Z]" (56 in *Test.java files)
2158 matches to "IAtom atom[^a-zA-Z_]" (870 in *Test.java files) (eg, "atom1")
235 matches to "IAtom atom[a-zA-Z]" (61 in tests) (eg, "atomToUpdate")
So yes, a clear preference.
I'll change that part of the code too.
Andrew
da...@dalkescientific.com
------------------------------------------------------------------------------
Simplify data backup and recovery for your virtual environment with vRanger.
Installation's a snap, and flexible recovery options mean your data is safe,
secure and there when you need it. Data protection magic?
Nope - It's vRanger. Get your free trial download today.
http://p.sf.net/sfu/quest-sfdev2dev
_______________________________________________
Cdk-user mailing list
Cdk-user@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/cdk-user
