Hi Jan,
Wow, I need to cut down on my caffeine intake. This application reads an
sdf file and writes out smis. The exception that you pointed out was for
code reached before this MolToSmiles block. A simple catch Exception e
appears to have fixed everything.
Thanks for pointing that out Jan!
M
Hi Jan,
The exception should be a org.RDKit.MolSanitizeException, but the following
code fails too:
String smi = "";
try {
smi = rdmol.MolToSmiles();
} catch (Exception e) {
System.err.println("Bad Mol Found: ");
}
Shouldn't this catch everything? Because that isn't working either. That's
why I
Hi Matt,
You are catching exceptions for Mol*To*Smiles(), but the exception that
is giving you trouble is caused by Mol*From*Smiles():
>at org.RDKit.RDKFuncsJNI.RWMol_Mol*From*Smiles__SWIG_3(Native Method)
>at org.RDKit.RWMol.Mol*From*Smiles(RWMol.java:422)
So my guess is that 'smi' i
Hi all,
Thanks all! I should have been a bit more explicit. This is the context
of the offending line:
try {
smi = rdmol.MolToSmiles();
} catch (org.RDKit.MolSanitizeException e) {
System.err.println("Bad Mol Found: " + smi);
}
I thought after reading the comments, that maybe I was being too s
If you just want to ignore the error add a try...catch block around the
offending line.
Yours,
Toby Wright
On 31 May 2014 00:03, Matthew Lardy wrote:
> Hi all,
>
> I am having this issue with the Java wrapper while trying to create a
> smiles string from a RWMol class object. I don't care ab
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