|
|
|
|
| Re: Datawarrior Commandline Option to Use Template [message #2365 is a reply to message #2363] |
Mon, 23 December 2024 20:41   |
sbembenek18
Messages: 62
Registered: April 2019
|
Member |
|
|
Yeah I think this would be a great feature to have as a flag option -->
.../../datawarrior myfile.sdf --template mytemplate.dwat
Our current use case is that we have several SDF models and simply want to script it such that DW opens them all at the end of our run.
This also reminds me of another feature I have been wanting: tabs in DW for multiple data sets.
Then together you could imagine having an existing DW project that you can add aditional SDF file to via the tab approach. And this could be done manually once the project is open or via commandline -->
.../../datawarrior myfile.sdf --template myproject.dwar
where he new SDF would then be added to the project and inherent all the existing features of the original.
I this would really enhance what is already great about DW.
[Updated on: Mon, 23 December 2024 20:50] Report message to a moderator |
|
|
|
| Re: Datawarrior Commandline Option to Use Template [message #2366 is a reply to message #2365] |
Mon, 23 December 2024 23:08 |
nbehrnd
Messages: 229
Registered: June 2019
|
Senior Member |
|
|
From your comment, I sense you are comfortable with the command line. Hence I feel comfortable to suggest DataWarrior's mode of action need not to be "file based" only, perhaps additionally could be "stream based" (as so many unix/linux utilities).
An illustration: OpenBabel reads many more file formats than e.g., .sdf DataWarrior accepts as input. While converting these files into a suitable syntax, OpenBabel can apply numeric, or (sub) structure related criteria as a filter. Hence, why not allow openbabel's results (via stdout) as one form of input (stdin) for DataWarrior (in unix' parlance, via a pipe)? Second, if DataWarrior's results are not an illustration, a 2D/3D diagram, they mostly are human readable plain text written into the .dwar file. While often useful, I think a permanent output file needn't be DataWarrior's only mode of operation -- there equally could be an optional output by DataWarrior itself as an output stream to redirect (`>`) or append (`>>`) to a permanent record, or to relay to a subsequent tool living in the command line.
Norwid
https://open-babel.readthedocs.io/en/latest/Descriptors/desc riptors.html
https://en.wikipedia.org/wiki/Pipeline_(Unix)
|
|
|
|
Search
Help
Members
Register
Login
Home
