step,
testData->mdAtoms_.homenr,
testData->mdAtoms_.havePartiallyFrozenAtoms,
- gmx::arrayRefFromArray(testData->mdAtoms_.ptype, testData->mdAtoms_.nr),
- gmx::arrayRefFromArray(testData->mdAtoms_.invmass, testData->mdAtoms_.nr),
- gmx::arrayRefFromArray(testData->mdAtoms_.invMassPerDim, testData->mdAtoms_.nr),
+ testData->mdAtoms_.ptype
+ ? gmx::arrayRefFromArray(testData->mdAtoms_.ptype, testData->mdAtoms_.nr)
+ : gmx::ArrayRef<ParticleType>{},
+ testData->mdAtoms_.invmass
+ ? gmx::arrayRefFromArray(testData->mdAtoms_.invmass, testData->mdAtoms_.nr)
+ : gmx::ArrayRef<real>{},
+ testData->mdAtoms_.invMassPerDim ? gmx::arrayRefFromArray(testData->mdAtoms_.invMassPerDim,
+ testData->mdAtoms_.nr)
+ : gmx::ArrayRef<rvec>{},
&testData->state_,
testData->f_,
testData->forceCalculationData_,