Skip to content

Commit

Permalink
Remove exception if a calculation results in error, as this needs to …
Browse files Browse the repository at this point in the history
…be treated as NaN in some occasions.
  • Loading branch information
olas committed Dec 29, 2011
1 parent d860996 commit 004996c
Showing 1 changed file with 2 additions and 2 deletions.
Expand Up @@ -893,8 +893,8 @@ private QsarDataset calculate(
for (IMolecule mol : resultMap.keySet()){
for (IDescriptorResult dres : resultMap.get(mol)){
if (dres.getErrorMessage()!=null){
System.out.println("Errors exist in descriptor result: " + dres);
throw new BioclipseException("Error in descriptor generation for molecule: " + mol);
logger.warn("Errors exist in descriptor result: " + dres);
// throw new BioclipseException("Error in descriptor generation for molecule: " + mol);
//TODO: we could also simply remove this molecule if we would like to
}
}
Expand Down

0 comments on commit 004996c

Please sign in to comment.