Replace rounding using int(x+0.5) with roundToInt

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

diff --git a/src/gromacs/gmxana/gmx_vanhove.cpp b/src/gromacs/gmxana/gmx_vanhove.cpp
index 7d2ca2c17018b1a0ef1542cda0a049599af069b4..53e57368ef4116ee5d8104de43b6317c8f32a0e4 100644 (file)
--- a/src/gromacs/gmxana/gmx_vanhove.cpp
+++ b/src/gromacs/gmxana/gmx_vanhove.cpp
@@ -240,7 +240,7 @@ int gmx_vanhove(int argc, char *argv[])
             fmmax = nfr - 1;
         }
         snew(mcount, fmmax);
-        nbin = static_cast<int>(rmax*invbin + 0.5);
+        nbin = gmx::roundToInt(rmax*invbin);
         if (sbin == 0)
         {
             mat_nx = fmmax + 1;
@@ -334,14 +334,14 @@ int gmx_vanhove(int argc, char *argv[])
                 }
                 else
                 {
-                    mbin = static_cast<int>(std::sqrt(fbin*dt)*invsbin + 0.5);
+                    mbin = gmx::roundToInt(std::sqrt(fbin*dt)*invsbin);
                 }
                 for (i = 0; i < isize; i++)
                 {
                     d2 = distance2(sx[f][i], sx[ff][i]);
                     if (mbin < mat_nx && d2 < rmax2)
                     {
-                        bin = static_cast<int>(std::sqrt(d2)*invbin + 0.5);
+                        bin = gmx::roundToInt(std::sqrt(d2)*invbin);
                         if (bin < nbin)
                         {
                             mat[mbin][bin] += 1;
@@ -372,7 +372,7 @@ int gmx_vanhove(int argc, char *argv[])
                     for (i = 0; i < isize; i++)
                     {
                         d2  = distance2(sx[f][i], sx[ff][i]);
-                        bin = static_cast<int>(std::sqrt(d2)*invbin + 0.5);
+                        bin = gmx::roundToInt(std::sqrt(d2)*invbin);
                         if (bin >= nalloc)
                         {
                             nallocn = 10*(bin/10) + 11;