Closed bast closed 4 years ago
This draft PR is working towards #10. One problem to think about is how to adapt input templates to accommodate mol files.
Requires rebase after #80.
This draft PR is working towards #10. One problem to think about is how to adapt input templates to accommodate mol files.
Still haven't come up with a solution for this. From the grammar point of view, I think pyparsing
allows to do "parse N lines that look like this" (though how to pass N is still a mistery to me) Having "template-template" would also help recovering the tagging feature of Getkw.
I am continuing working on it. I will document/share once this moves forward.
Giving up on this. We might return to this but I want to first see interest and buy-in from (LS)Dalton communities before investing a lot of time into this.