Re: [cml/ccml-discuss] CML export from JSpecView

[peter murray-r. <pm...@ca...>]

At 19:42 11/05/2006, Prof. Robert John Lancashire wrote:
>Greetings,
>
>I recently joined the discussion list and so far have only had
>junk mail coming in my daily digest. Now we know what
>the Internet is really for....

hi - have been away so only seen the mail just now. So far we have 
had very little junk mail - hope it continues that way...


>I decided therefore to add a routine to export a CML document from JSpecView
>and will try to have a draft up for people to see in a few days all 
>going well.

Excellent

>The way I did this with SVG and AnIML was to set up a template and 
>use routines from
>xerces to fill in the gaps.

Yes. You should be able to build a DOM and poke in the information. 
Assuming you are happy with the xerces DOM that should be 
straightforward. Note that CML should now be namespaced:
http://www.xml-cml.org/schema


>So basically any JCAMP-DX file could then be available as either 
>AnIML, CML or SVG

Great

>I have a few examples of CML spectra sent to me by Christoph and note that
>some use a delimiter attribute for the X Y data and others don't.
>Does anyone have a preference?
>Why was it felt necessary to do this?

No particular reason. Delimiters are only required when the data have 
embedded whitespace.

>Sorry I am coming in so late and missed all the important discussions.
>
>I would be happy to get a few more examples to look at but figure if 
>I can generate
>files similar to those from Christoph I am on the right track.

You should have received these in other mail...

>Thanks
>Robert

And thanks to you.



Peter Murray-Rust
Unilever Centre for Molecular Sciences Informatics
University of Cambridge,
Lensfield Road,  Cambridge CB2 1EW, UK
+44-1223-763069