A. Sebastian wrote:
> I use OpenBabel Perl Module to parse mol files to a database and by the way I
> use the following code to obtain smiles format:
> my $obMol=new Chemistry::OpenBabel::OBMol;
> my $obConversion=new Chemistry::OpenBabel::OBConversion;
> $obConversion->SetInAndOutFormats("mol","smi");
> $obConversion->ReadString($obMol,$mol_file);
> my $outSmiles=$obConversion->WriteString($obMol);
>
> All works OK, but I obtain sometimes warning messages on screen that make
> slower the process, I'd like to avoid this messages but I don't know how to
> do that.
>
> An example of the warning messages:
> *** Open Babel Warning in WriteMolecule
> 1-[(4-Acetyl-phenylcarbamoyl)-methyl]-pyridinium Proton(s) added/removed
>
> With the InChi format I have success avoiding this messages with this code:
> my $obMol=new Chemistry::OpenBabel::OBMol;
> my $obConversion=new Chemistry::OpenBabel::OBConversion;
> $obConversion->SetInAndOutFormats("mol","inchi");
> $obConversion->ReadString($obMol,$mol_file);
> $obConversion->SetOptions("w",1);
> my $outInchi=$obConversion->WriteString($obMol);
>
> I want to know if exists a similar solution for smiles, because the former
> doen't work ($obConversion->SetOptions("w",1);)
>
You can control the severity of OpenBabel error messages that are
displayed in C++ code using:
obErrorLog.SetOutputLevel(0);
0 supresses all the messages; 5 allows everything.
OpenBabel::obErrorLog is a global variable; the number is an enum of
type obMessageLevel. I don't know how well this works in the Perl
version, but if it doesn't we should do something about it.
obErrorLog.StopLogging();
is an alternative to supress everything.
(In the command-line version use the option ---errorlevel n )
Chris
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