namespace test
{
-void applySettle(SettleTestData *testData,
+void applySettle(SettleTestData* testData,
const t_pbc pbc,
const bool updateVelocities,
const bool calcVirial,
- const std::string &testDescription)
+ const std::string& testDescription)
{
- settledata *settled = settle_init(testData->mtop_);
+ settledata* settled = settle_init(testData->mtop_);
settle_set_constraints(settled, &testData->ilist_, testData->mdatoms_);
bool errorOccured;
int numThreads = 1;
int threadIndex = 0;
- csettle(settled,
- numThreads,
- threadIndex,
- &pbc,
+ csettle(settled, numThreads, threadIndex, &pbc,
reinterpret_cast<real*>(as_rvec_array(testData->x_.data())),
- reinterpret_cast<real*>(as_rvec_array(testData->xPrime_.data())),
- testData->reciprocalTimeStep_,
+ reinterpret_cast<real*>(as_rvec_array(testData->xPrime_.data())), testData->reciprocalTimeStep_,
updateVelocities ? reinterpret_cast<real*>(as_rvec_array(testData->v_.data())) : nullptr,
- calcVirial,
- testData->virial_,
- &errorOccured);
+ calcVirial, testData->virial_, &errorOccured);
settle_free(settled);
EXPECT_FALSE(errorOccured) << testDescription;
}
#if GMX_GPU != GMX_GPU_CUDA
-void applySettleGpu(gmx_unused SettleTestData *testData,
- gmx_unused const t_pbc pbc,
- gmx_unused const bool updateVelocities,
- gmx_unused const bool calcVirial,
- gmx_unused const std::string &testDescription)
+void applySettleGpu(gmx_unused SettleTestData* testData,
+ gmx_unused const t_pbc pbc,
+ gmx_unused const bool updateVelocities,
+ gmx_unused const bool calcVirial,
+ gmx_unused const std::string& testDescription)
{
FAIL() << "Dummy SETTLE GPU function was called instead of the real one in the SETTLE test.";
}