[gmx-developers] IrTests and extending mdp fields

[Mark Abraham]

Hi,

Those tests assert on the contents of grompp -po (so that we know we aren't
breaking that as we re-work mdp handling), which of course you have
changed. Either run bin/gmxpreprocess-test -refdata update-changed and
commit the resulting updated xml files, or just use ir->userint[1234] etc
existing mdp-to-ir extension hooks, if you're doing something simple enough.

Mark

On Fri, Apr 7, 2017 at 2:55 PM Vedran Miletić <vedran at miletic.net> wrote:

> Adding a trivial ITYPE to readir.cpp and matching member to inputrec.h:
>
> https://ghostbin.com/paste/jsobr
>
> makes new IrTests fail:
>
> [  FAILED  ] 5 tests, listed below:
> [  FAILED  ] GetIrTest.HandlesDifferentKindsOfMdpLines
> [  FAILED  ] GetIrTest.HandlesOnlyCutoffScheme
> [  FAILED  ] GetIrTest.UserErrorsSilentlyTolerated
> [  FAILED  ] GetIrTest.EmptyInputWorks
> [  FAILED  ] GetIrTest.ProducesOutputFromElectricField
>
> What am I missing? What else should be modified?
>
> Regards,
> Vedran
>
> --
> Vedran Miletić
> vedran.miletic.net
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