Re: [Open Babel] Writer Format - WLN Writer + Reader Functionality Expansion

2022-07-10 Thread m.k.blakey--- via OpenBabel-discuss
Hi Geoffrey, Sorry just fixing the last few edge cases and making sure the bugs are all out! Will pull request once I’ve got the ring bridges to play ball! Happy with Git! Mikey On 9 Jul 2022, 18:45 +0100, Geoffrey Hutchison , wrote: > Hi Michael, > > I just wanted to check in. If submitting t

Re: [Open Babel] Writer Format - WLN Writer + Reader Functionality Expansion

2022-07-12 Thread m.k.blakey--- via OpenBabel-discuss
I have sent a pull request for the reader, writer on the way Mikey On 9 Jul 2022, 18:51 +0100, m.k.bla...@icloud.com, wrote: > Hi Geoffrey, > > Sorry just fixing the last few edge cases and making sure the bugs are all > out! > > Will pull request once I’ve got the ring bridges to play ball! > >

Re: [Open Babel] Writer Format - WLN Writer + Reader Functionality Expansion

2022-07-18 Thread m.k.blakey--- via OpenBabel-discuss
Hi all, Ive committed the Reader changes successfully, all checks passed. Im having some trouble committing the writer, I’m failing the appveyor test for the wlnformat.cpp file. I have a feeling I’ve got the WriteMolecule function wrong! Please could someone have a look and let me know what I’