Hi Nick,

newlines in data properties are fine, but they should not include blank lines (i.e., multiple newlines).
For example, in:

>  <my_property1>
1

2

3

4

>  <my_property2>
1234

>  <my_property3>
5678

my_property1 will be truncated to just "1". Based on the specifications, if you want to include a blank line, it should actually be either a " " or a "\t", rather than being completely blank.

Cheers,
Paolo

On 04/29/15 12:16, Nicholas Firth wrote:
I use SD files with new lines in the properties quite frequently (inherited from Pipeline Pilot's merge function) and I've never had a problem reading them. I've attached an SD file that works fine for me.

In [2]: suppl = Chem.SDMolSupplier('/Volumes/nfirth/tempf.sdf')

In [3]: m = suppl[0]

In [4]: t = m.GetProp('genNum')

In [5]: print t
1
2
3
4

In [6]: print t.split('\n')
['1', '2', '3', '4']


So I guess the problem is in the writer?

Best,
Nick

The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company Limited by Guarantee, Registered in England under Company No. 534147 with its Registered Office at 123 Old Brompton Road, London SW7 3RP.

This e-mail message is confidential and for use by the addressee only. If the message is received by anyone other than the addressee, please return the message to the sender by replying to it and then delete the message from your computer and network.


------------------------------------------------------------------------------
One dashboard for servers and applications across Physical-Virtual-Cloud
Widest out-of-the-box monitoring support with 50+ applications
Performance metrics, stats and reports that give you Actionable Insights
Deep dive visibility with transaction tracing using APM Insight.
http://ad.doubleclick.net/ddm/clk/290420510;117567292;y


_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

------------------------------------------------------------------------------
One dashboard for servers and applications across Physical-Virtual-Cloud 
Widest out-of-the-box monitoring support with 50+ applications
Performance metrics, stats and reports that give you Actionable Insights
Deep dive visibility with transaction tracing using APM Insight.
http://ad.doubleclick.net/ddm/clk/290420510;117567292;y
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to