Refactor md_enums

[alexxy/gromacs.git] / src / gromacs / mdlib / tests / constrtestdata.cpp

diff --git a/src/gromacs/mdlib/tests/constrtestdata.cpp b/src/gromacs/mdlib/tests/constrtestdata.cpp
index 3de0c11b896b37adb798905aded2347f098e6e56..d1819bc7df138ad2b290c1067810863cb56326f4 100644 (file)
--- a/src/gromacs/mdlib/tests/constrtestdata.cpp
+++ b/src/gromacs/mdlib/tests/constrtestdata.cpp
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -96,10 +96,10 @@ ConstraintsTestData::ConstraintsTestData(const std::string&       title,
     invdt_ = 1.0 / timestep; // Inverse timestep
 
     // Input record - data that usually comes from configuration file (.mdp)
-    ir_.efep    = 0;
+    ir_.efep    = FreeEnergyPerturbationType::No;
     ir_.init_t  = initialTime;
     ir_.delta_t = timestep;
-    ir_.eI      = 0;
+    ir_.eI      = IntegrationAlgorithm::MD;
 
     // Virial evaluation
     computeVirial_ = computeVirial;
@@ -122,12 +122,12 @@ ConstraintsTestData::ConstraintsTestData(const std::string&       title,
     dHdLambda_         = 0;
     if (compute_dHdLambda_)
     {
-        ir_.efep      = efepYES;
+        ir_.efep      = FreeEnergyPerturbationType::Yes;
         dHdLambdaRef_ = dHdLambdaRef;
     }
     else
     {
-        ir_.efep      = efepNO;
+        ir_.efep      = FreeEnergyPerturbationType::No;
         dHdLambdaRef_ = 0;
     }