On 01/04/2008, Egon Willighagen <[EMAIL PROTECTED]> wrote:
> On Tue, Apr 1, 2008 at 2:42 PM, Noel O'Boyle <[EMAIL PROTECTED]> wrote:
>  >  > public String getPreferredNameExtension() ?
>  >
>  >  Not specified in most cases. Where specified, not unique in many
>  >  cases. So not useful to me.
>
>
> Any suggestions, fixes most welcome.

>From my point of view (building a Jython API on top of CDK), the
following is necessary:
(1) some way to get a list of readers and a list of writers (don't
your readers/writer register somewhere, or is there some way I can use
introspection)
(2) each writer and reader to have a unique ID (not the method name)
which the user will use to access it, e.g. "smi" for SMILESReader.
OpenBabel has a set of unique IDs. Wouldn't it be a good idea for CDK
to use the same list (at least as a starting point)? If CDK doesn't do
this, I can create the list myself in my own code, but this causes
maintainability issues. I am happy to provide a list of unique IDs
based on the ones used by OpenBabel.

I don't know who relies on the current GetPreferredExtensionNames -
does anyone? Would anyone mind if I just rewrote them all to suit
myself? Note that in OpenBabel the ID does not indicate an extension,
e.g. Gaussian98 does not create files with the extension g98. It is
rather used as a unique ID to indicate the format. It would be nice if
CDK took the same view.

Noel

>
>  Egon
>
>  --
>  ----
>  http://chem-bla-ics.blogspot.com/
>

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