Use constexpr for physical constants and move them into gmx namespace

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_angle.cpp

diff --git a/src/gromacs/gmxana/gmx_angle.cpp b/src/gromacs/gmxana/gmx_angle.cpp
index 4fe720ba9d87c0e8df1373b57e30c92da879224d..684a7b15c37d737962c5a2ec6c602133353d47f0 100644 (file)
--- a/src/gromacs/gmxana/gmx_angle.cpp
+++ b/src/gromacs/gmxana/gmx_angle.cpp
@@ -4,7 +4,7 @@
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
  * Copyright (c) 2013,2014,2015,2016,2017 by the GROMACS development team.
- * 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.
@@ -312,7 +312,7 @@ int gmx_g_angle(int argc, char* argv[])
         out = xvgropen(opt2fn("-ov", NFILE, fnm), title, "Time (ps)", "Angle (degrees)", oenv);
         for (i = 0; (i < nframes); i++)
         {
-            fprintf(out, "%10.5f  %8.3f", time[i], aver_angle[i] * RAD2DEG);
+            fprintf(out, "%10.5f  %8.3f", time[i], aver_angle[i] * gmx::c_rad2Deg);
             if (bALL)
             {
                 for (j = 0; (j < nangles); j++)
@@ -320,11 +320,11 @@ int gmx_g_angle(int argc, char* argv[])
                     if (bPBC)
                     {
                         real dd = dih[j][i];
-                        fprintf(out, "  %8.3f", std::atan2(std::sin(dd), std::cos(dd)) * RAD2DEG);
+                        fprintf(out, "  %8.3f", std::atan2(std::sin(dd), std::cos(dd)) * gmx::c_rad2Deg);
                     }
                     else
                     {
-                        fprintf(out, "  %8.3f", dih[j][i] * RAD2DEG);
+                        fprintf(out, "  %8.3f", dih[j][i] * gmx::c_rad2Deg);
                     }
                 }
             }
@@ -372,7 +372,7 @@ int gmx_g_angle(int argc, char* argv[])
 
             if (bChandler)
             {
-                real     dval, sixty = DEG2RAD * 60;
+                real     dval, sixty = gmx::c_deg2Rad * 60;
                 gmx_bool bTest;
 
                 for (i = 0; (i < nangles); i++)
@@ -455,8 +455,8 @@ int gmx_g_angle(int argc, char* argv[])
     }
     aver /= nframes;
     double aversig = correctRadianAngleRange(aver);
-    aversig *= RAD2DEG;
-    aver *= RAD2DEG;
+    aversig *= gmx::c_rad2Deg;
+    aver *= gmx::c_rad2Deg;
     printf(" < angle >  = %g\n", aversig);
 
     if (mult == 3)