Home » DataWarrior » Functionality » Filter out nasty functions (to design a macro to filter all nasty functions their names should be included )
| Re: Filter out nasty functions [message #1914 is a reply to message #1911] |
Tue, 06 June 2023 23:10   |
nbehrnd
Messages: 211
Registered: June 2019
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Senior Member |
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Dear Julio,
at present I understand the task ahead as you want to retain both sets of molecules as eventual separate files. With DataWarrior 5.5.0 including the updates packaged by 2023-05-18 (just downloaded again), I'm unable to write a .dwam macro which would save them directly as .sdf. Apparently, the filter -- here, to display either set «retain entry», or «skip» only acts to display. File -> Save Special -> SD-File, which would open the menu to .sdf file still exports molecules which fits either criterion. Coherent with this observation, the entry in Macro Editor annihilates the effort to filter the molecules, too.
This is the reason why the current bypass is to simulate a File -> Save Visible As with the .dwam macro to save the sets separately, however in DataWarrior's native .dwar format. Altogether with a test library, the edited .dwam macro, the two resulting sub sets; and a brief silent are attached. Obviously, this leaves the separate (not macro driven) action to open the .dwam files for a Save -> Save Special -> SD-File still on the table.
Norwid
[Updated on: Tue, 06 June 2023 23:13] Report message to a moderator |
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