Rename some paramters in nblib listed forces

[alexxy/gromacs.git] / api / nblib / listed_forces / conversions.hpp

diff --git a/api/nblib/listed_forces/conversions.hpp b/api/nblib/listed_forces/conversions.hpp
index c8319857405f9d2755d90089622a13b68f540e18..fc79786029c50462e71bdb26bf673eb0ee7bd4f1 100644 (file)
--- a/api/nblib/listed_forces/conversions.hpp
+++ b/api/nblib/listed_forces/conversions.hpp
@@ -91,7 +91,7 @@ struct ListedIndex<G96BondType> : std::integral_constant<int, F_G96BONDS>
 };
 
 template<>
-struct ListedIndex<HarmonicAngleType> : std::integral_constant<int, F_ANGLES>
+struct ListedIndex<HarmonicAngle> : std::integral_constant<int, F_ANGLES>
 {
 };
 
@@ -131,19 +131,19 @@ void transferParameters(const ListedTypeData<HarmonicBondType>& interactions, gm
     {
         t_iparams param;
         param.harmonic.krA = hbond.forceConstant();
-        param.harmonic.rA  = hbond.equilDistance();
+        param.harmonic.rA  = hbond.equilConstant();
         gmx_params.iparams.push_back(param);
     }
 }
 
 template<>
-void transferParameters(const ListedTypeData<HarmonicAngleType>& interactions, gmx_ffparams_t& gmx_params)
+void transferParameters(const ListedTypeData<HarmonicAngle>& interactions, gmx_ffparams_t& gmx_params)
 {
     for (const auto& angle : interactions.parameters)
     {
         t_iparams param;
         param.harmonic.krA = angle.forceConstant();
-        param.harmonic.rA  = angle.equilDistance() / DEG2RAD;
+        param.harmonic.rA  = angle.equilConstant() / DEG2RAD;
         gmx_params.iparams.push_back(param);
     }
 }