Giter Club home page Giter Club logo

Comments (4)

ghutchis avatar ghutchis commented on June 28, 2024

Logged In: YES
user_id=1500648
Originator: NO

can you attach some *.smi files to this bug so I can have something to test. I don't even know what an smi file looks like.

Original comment by: @milkypostman

from avogadro.

ghutchis avatar ghutchis commented on June 28, 2024

Logged In: YES
user_id=684210
Originator: NO

http://filext.com/file-extension/SMI tells me it is a SMILES format. Googling even more gives me these files:

http://www.perlmol.org/examples/combinatorial_enumeration/amines.smi

http://www.perlmol.org/examples/combinatorial_enumeration/acid_chlorides.smi

Original comment by: @cniehaus

from avogadro.

ghutchis avatar ghutchis commented on June 28, 2024

Logged In: YES
user_id=684210
Originator: NO

Ok, I played around with Avo. I loaded both mentioned files and cannot makes Avo crash.

But yes, the View is pointless: All I get is ONE atom. I guess it should be four molecules at a time for amines.smi...

kde4@moinmoin:~/build/avo> cat amines.smi
CN methylamine
CCN ethylamine
CCCNC propylamine
c1ccccc1N aniline

Original comment by: @cniehaus

from avogadro.

ghutchis avatar ghutchis commented on June 28, 2024

Logged In: YES
user_id=1883751
Originator: YES

Weird, I tested 15 different *.smi from the chemical-structures-2.0.1 package. Result:

  • No one produced a garbled output.
  • Debug didn't crash it.
    It seems this bug has disappeared in more recent releases.

I think it's the best to close the bug with resolution "Out of Date", if the bug appears again, we can reopen it.

Original comment by: soc88

from avogadro.

Related Issues (20)

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. 📊📈🎉

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google ❤️ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.