Cannot display other molecules in multimolecule file - Githubissues

cryos / avogadro

Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

http://avogadro.cc/

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Cannot display other molecules in multimolecule file #618

Open cryos opened 12 years ago

cryos commented 12 years ago

(Note that this is a separate problem than I reported in PR#2887942, where the "View/All Molecules in File" remained greyed out)

Avogadro successfully opens the attached file, and lists the molecules in the "View/All Molecules in File" dialog box. However, clicking on various molecules does not display them. Clicking on the first molecule does 'reload' it however, and the molecule rotates back to the original orientation if it had been moved.

I note in passing that it does work fine for other multimolecule files.

Reported by: @baoilleach

cryos commented 12 years ago

Example test multimolecule file

Original comment by: @baoilleach

cryos commented 12 years ago

Hi Noel -- can you try with the current master? This works for me there. We might need to backport some fixes.

Original comment by: @dlonie

cryos commented 12 years ago

I'd like to test on Windows (which is where the problem was observed). The lastest nightly build is Avogadro-1.1.0-snapshot.20101101-80a9e954-win32.exe though.

Noel

Original comment by: @baoilleach

cryos commented 12 years ago

Yeah, those nightly window builds were never really maintained. You can try the XtalOpt windows packages, which include recent builds of Avogadro master:

http://xtalopt.openmolecules.net/wiki/index.fcgi/wiki/InstallationWindows

Version r8.1 was released about a month ago and uses the master avogadro from that time. I'd try this myself, but I won't have access to a window's box until Wednesday.

Original comment by: @dlonie

cryos commented 12 years ago

I've just rebuilt against a more recent checkout here:

http://xtalopt.openmolecules.net/xtalopt/win32/RCs/XtalOpt-Avogadro-r8.1LL-1.1.0-win32.exe

I can reproduce your bug on this build. I've skimmed the code responsible for switching the molecules, but nothing obvious (like an MSVC #ifdef) jumps out. I might find time to dig deeper at some point, but I'm not really set up for debugging windows builds. So if anyone else wants this bug, feel free to take it!

Original comment by: @dlonie