GROMACS editor after a run: internal file names, stale status, developer text
Nobody has claimed this yet.
Assessment
- Difficulty
- 2/5
- Estimated time
- 1-3 hours
- Newbie friendliness
- 70/100
Research direction
Start with ResourceUtils.C, where the content-type file name ecceSession_ecceMdOptimize.gro is built, and with GromacsInputsPanel::refresh, where the status line is set. Check how the editor displays the attached file name and the topology name, and where the intro paragraph text lives. Done when the Inputs tab shows em.gro and processed.top as attached, the post-run status says the inputs are fixed until Reset, and the intro keeps only its first two sentences.
Written by the indexing model from the issue text.
Description
Seen 2026-10-15 in the GROMACS MD Optimize editor after a finished minimisation (Inputs tab, read only).
- Starting structure shows ecceSession_ecceMdOptimize.gro, a name built from the content type (ResourceUtils.C), instead of the attached file's name (em.gro). The editor should keep showing the name the user attached.
- Status line still reads "Ready: a topology and a starting structure are attached." (GromacsInputsPanel::refresh). After a run it should say the calculation has run and its inputs are fixed until Reset.
- Topology shows processed.gmxtop, the internal storage name; show processed.top, as attached.
- The intro paragraph includes developer detail ("A topology is kept as .gmxtop so it cannot be mistaken for an NWChem topology; the job still sees it as topol.top."). Keep the first two sentences.
For the GROMACS round, with #334.
- Dominant language
- C
- Stars
- 10
- Forks
- 8
- Avg merge
- 21m
- Merged PRs (30d)
- 1
Getting set up
This project ships no dev container, Dockerfile or contributing guide, so setting up is up to you: start from its README, and see our first-contribution guide for the general steps.
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
More from FriendsofECCE/ECCE
-
Difficulty 1/5 Under an hour Newbie friendliness 70/100
FriendsofECCE/ECCE#353 ·
-
Difficulty 3/5 1-2 days Newbie friendliness 45/100
FriendsofECCE/ECCE#355 ·
-
Icons in MacOSOpenenhancement
Difficulty 5/5 Over a week Newbie friendliness 18/100
FriendsofECCE/ECCE#354 · 4 comments ·
-
Difficulty 3/5 1-2 days Newbie friendliness 45/100
FriendsofECCE/ECCE#351 ·
-
Difficulty 2/5 1-3 hours Newbie friendliness 52/100
FriendsofECCE/ECCE#350 ·
All issues in FriendsofECCE/ECCE
Similar issues
-
Difficulty 2/5 1-3 hours Newbie friendliness 80/100
Maintainers usually reply within 1 day
-
Difficulty 2/5 1-3 hours Newbie friendliness 70/100
-
Difficulty 2/5 1-3 hours Newbie friendliness 70/100
-
Difficulty 2/5 1-3 hours Newbie friendliness 66/100
FujiNetWIFI/fujinet-lib#186 ·
Maintainers usually reply within 1 day
-
Difficulty 2/5 1-3 hours Newbie friendliness 65/100