Merge branch 'master' into pygromacs

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

diff --git a/src/gromacs/gmxana/gmx_genpr.c b/src/gromacs/gmxana/gmx_genpr.cpp
similarity index 98%
rename from src/gromacs/gmxana/gmx_genpr.c
rename to src/gromacs/gmxana/gmx_genpr.cpp
index 6d275cfa83969abfd17c381e86289f614665406e..579721d4579921fe69aa68b61d40c298344dfc7e 100644 (file)
--- a/src/gromacs/gmxana/gmx_genpr.c
+++ b/src/gromacs/gmxana/gmx_genpr.cpp
@@ -36,8 +36,10 @@
  */
 #include "gmxpre.h"
 
-#include <math.h>
-#include <string.h>
+#include <cmath>
+#include <cstring>
+
+#include <algorithm>
 
 #include "gromacs/commandline/pargs.h"
 #include "gromacs/fileio/confio.h"
@@ -220,13 +222,13 @@ int gmx_genpr(int argc, char *argv[])
                     {
                         if (disre_frac > 0)
                         {
-                            dd = min(disre_dist, disre_frac*d);
+                            dd = std::min(disre_dist, disre_frac*d);
                         }
                         else
                         {
                             dd = disre_dist;
                         }
-                        lo = max(0, d-dd);
+                        lo = std::max(static_cast<real>(0.0), d-dd);
                         hi = d+dd;
                         fprintf(out, "%5d %5d %1d %5d %10d %10g %10g %10g %10g\n",
                                 ind_grp[i]+1, ind_grp[j]+1, 1, k, 1,