Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Pencil Tool deletes hydrogen atoms when bond order are changed #505

Closed
grsousajunior opened this issue Oct 23, 2020 · 4 comments
Closed
Labels

Comments

@grsousajunior
Copy link
Contributor

Avogadro version:

  • Avogadrolibs: 1.91.0
  • Qt: 5.10.1

Desktop version:

  • OS: Microsoft Windows
  • Version: 10.0.19041.572

Describe the bug
When changing bond order from ethane by clicking on C–C bond using Pencil Tool, hydrogen atoms from neighbor carbon are deleted.

To Reproduce
Steps to reproduce the behavior:

  1. Go to Pencil Tool
  2. Click on screen to add CH₄ molecule
  3. Add the second carbon atom to create a ethane
  4. Go to Extensions > Open Babel > Optimize geometry
  5. Click on C–C bond to change the bond order and the H atoms to second carbon are deleted

Expected behavior
I expected to build an ethene molecule.

Screenshots
The follow gif image shows step-by-step what I'm doing.

gif image for bug

Additional context
During installation, the Wizard show up this error message:

Avogadro2-1 91 0-win64_VFKf5RObzL

@welcome
Copy link

welcome bot commented Oct 23, 2020

Thanks for opening your first issue here! Please try to include example files and screenshots if possible. If you're looking for support, please post on our forum: https://discuss.avogadro.cc/

@ghutchis
Copy link
Member

This seems to be fixed in HEAD so I'm closing this one.

@ghutchis ghutchis reopened this Apr 25, 2021
@ghutchis
Copy link
Member

Just verified it - I'll see what's happening. Seems somewhat intermittent on my computer.

@ghutchis ghutchis added the bug label May 14, 2021
@ghutchis
Copy link
Member

I'm going to close this one in favor of #678 as a "master issue" - the adjust hydrogens code is buggy and sometimes fails.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Projects
None yet
Development

No branches or pull requests

2 participants