openmolecules.org Forum: Functionality » Loop over columns for calculations

Home » DataWarrior » Functionality » Loop over columns for calculations

Show: Today's Messages :: Polls :: Message Navigator

Loop over columns for calculations [message #1161]

Fri, 04 December 2020 14:41

amorrison
Messages: 39
Registered: March 2016

Member

Hi,
Is it possible to loop over a set of columns and carry out an operation without having to do each column individually. I have two use cases;

Case 1 - After a core based SAR analysis find all structure columns and create the corresponding smiles code.

Case 2 - Find all numerical columns and do a round function.

Many thanks in advance,

Angus

Report message to a moderator

Re: Loop over columns for calculations [message #1164 is a reply to message #1161]

Fri, 04 December 2020 16:36

thomas
Messages: 747
Registered: June 2014

Senior Member

Hi Angus,

while I see the use of it, I regret to say, this cannot be done currently. It would need improved looping and variable handling in macros.

Thomas

Report message to a moderator

Previous Topic:	Similarity heatmap
Next Topic:	Variables in Macros

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Mon May 18 02:29:19 CEST 2026

Total time taken to generate the page: 0.00602 seconds