Re: [Cdk-devel] CDK-Export

[gilleain t. <gil...@gm...>]

Hi,

Hmmm. I'm not very familiar with how cdk.io works. I've only used it,
not developed any of the code.

It seems like a lot of the formats in cdk.io.formats return null for
the "getWriterClassName", but there are 14 that do:

CDKSourceCodeFormat.java
CMLFormat.java
CMLRSSFormat.java
CrystClustFormat.java
GaussianInputFormat.java
HINFormat.java
MDLV2000Format.java
Mol2Format.java
PDBFormat.java
RGroupQueryFormat.java
SDFFormat.java
ShelXFormat.java
SMILESFormat.java
XYZFormat.java

and I guess that these correspond to the 14 writers? It's strange,
because IChemFormatMatcher extends IChemFormat, so they should all
pass the instanceof.

gilleain




On Sat, Jul 31, 2010 at 3:10 PM, Mark Southern <sou...@sc...> wrote:
> Hi Gilleain,
>
> I updated the MoleculeFileExportFormatHandler to export using all 14 of the Writers in the cdk.io package, one after the other.
>
> I then started to think that there might be a better way to do it. Could I use the cdk.io.FormatFactory class to obtain the Writers and their extensions? i.e.
>
>        FormatFactory factory = new FormatFactory();
>        for(IChemFormatMatcher matcher: factory.getFormats()) {
>                if( matcher instanceof IChemFormat ) {
>                        IChemFormat format = (IChemFormat) matcher;
>                        if ( null != format.getWriterClassName() ) {
>                                // instantiate Writer and add to map with preferredNameExtension as the "type" for the CDKExportFormat
>                        }
>                }
>        }
>
> However, when I run this code, only 9 of the 14 Writers in cdk.io get listed. Is this simply unfinished functionality in the CDK?
>
> Best,
> ~Mark.
> URL: http://code.google.com/p/cdk-export/
>