Add lambda state to dhdl.xvg with AWH fep
[alexxy/gromacs.git] / src / gromacs / mdlib / tests / energyoutput.cpp
index f8e974acc408b0bfa05cd86eae6f30a1cd382355..51aed47c64def29dd2bdbc518983c654fada1b64 100644 (file)
@@ -362,7 +362,7 @@ public:
         // TODO This object will always return zero as RMSD value.
         //      It is more relevant to have non-zero value for testing.
         constraints_ = makeConstraints(
-                mtop_, inputrec_, nullptr, false, nullptr, &cr_, false, nullptr, nullptr, nullptr, false);
+                mtop_, inputrec_, nullptr, false, nullptr, &cr_, false, nullptr, nullptr, nullptr, false, nullptr);
     }
 
     /*! \brief Helper function to generate synthetic data to output
@@ -615,7 +615,6 @@ TEST_P(EnergyOutputTest, CheckOutput)
                                           tmass_,
                                           enerdata_.get(),
                                           nullptr,
-                                          nullptr,
                                           box_,
                                           PTCouplingArrays({ state_.boxv,
                                                              state_.nosehoover_xi,
@@ -657,7 +656,7 @@ TEST_P(EnergyOutputTest, CheckOutput)
     checker_.checkString(TextReader::readFileToString(logFilename_), "log");
 }
 
-INSTANTIATE_TEST_CASE_P(WithParameters, EnergyOutputTest, ::testing::ValuesIn(parametersSets));
+INSTANTIATE_TEST_SUITE_P(WithParameters, EnergyOutputTest, ::testing::ValuesIn(parametersSets));
 
 } // namespace
 } // namespace test