#3524 – Support default InChI (Key) generation

[Robert-Henning-t2]

General description of the PR:

Fix for #3524.
Added optional parameter to force InChI generation parameters.

Generic request

• PR name follows the pattern #1234 – issue name
• branch name does not contain '#'
• base branch (master or release/xx) is correct
• PR is linked with the issue
• task status changed to "Code review"
• code follows product standards
• regression tests updated

For release/xx branch

• backmerge to master (or newer release/xx) branch is created

Optional

• unit-tests written
• documentation updated

Backmerge request

• PR name follows the pattern Backmerge: #1234 – issue name
• PR is linked with the issue
• base branch (master or release/xx) is correct
• code contains only backmerge changes

Bump request

• PR name follows the pattern Bump version to ...
• add brackets [ ] for 'skip ci' and put it into the body
• milestone is linked to PR
• all tickets are closed inside the relevant milestone

[BrillBay]

Hi Team Epam/Indigo,

robert made a first shot on #3524. As this 'fix' is really important for us, please have a look at the used approach and the impl itself. If you think we should adjust something, please give us some hints about the direction to go.
Otherwise it will be great if we can have this as soon as possible released.

[AlexanderSavelyev]

Hi @Robert-Henning-t2 thanks for the PR. Please fix the static analysis issues.
one of options can be to run in docker (using existing CI version image) the fix e.g.

docker run --rm -v $(pwd):/indigo --user $(id -u):$(id -g) epmlsop/indigo-tester:latest sh /indigo/.ci/static_analysis_fix.sh

[Robert-Henning-t2]

@AlexanderSavelyev thanks for the hint, i tried to make the linter/type-checker happy

[AlexanderSavelyev]

it seems like segfault in linux tests

indigo-dlopen-tests-indigo-inchi (SEGFAULT)

Linux builds are using docker. One can find all scripts in
https://github.com/epam/Indigo/blob/master/.github/workflows/indigo-ci.yaml

please inform if help required to reproduce

[rbri]

@AlexanderSavelyev we will have another look at this tomorrow...