Merge branch 'master' into pygromacs

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

diff --git a/src/gromacs/gmxana/gmx_helix.c b/src/gromacs/gmxana/gmx_helix.cpp
similarity index 98%
rename from src/gromacs/gmxana/gmx_helix.c
rename to src/gromacs/gmxana/gmx_helix.cpp
index 17c4f392f460a0d943bdc42e3e55effd98c0c4bd..66e81a9a427bf785c9b7bcd5c6d6ab5da4d11089 100644 (file)
--- a/src/gromacs/gmxana/gmx_helix.c
+++ b/src/gromacs/gmxana/gmx_helix.cpp
@@ -36,8 +36,8 @@
  */
 #include "gmxpre.h"
 
-#include <math.h>
-#include <string.h>
+#include <cmath>
+#include <cstring>
 
 #include "gromacs/commandline/pargs.h"
 #include "gromacs/fileio/confio.h"
@@ -143,9 +143,9 @@ int gmx_helix(int argc, char *argv[])
     output_env_t   oenv;
     char           buf[54];
     t_trxstatus   *status;
-    int            natoms, nre, nres;
+    int            natoms, nres;
     t_bb          *bb;
-    int            i, j, m, nall, nbb, nca, teller, nSel = 0;
+    int            i, j, nall, nbb, nca, teller;
     atom_id       *bbindex, *caindex, *allindex;
     t_topology    *top;
     int            ePBC;
@@ -282,9 +282,9 @@ int gmx_helix(int argc, char *argv[])
         {
             fprintf(xf[efhRMSA].fp, "%10d  %10g\n", r0+i, bb[i].rmsa/bb[i].nrms);
         }
-        fprintf(xf[efhAHX].fp, "%10d  %10g\n", r0+i, (bb[i].nhx*100.0)/(real )teller);
+        fprintf(xf[efhAHX].fp, "%10d  %10g\n", r0+i, (bb[i].nhx*100.0)/static_cast<real>(teller));
         fprintf(xf[efhJCA].fp, "%10d  %10g\n",
-                r0+i, 140.3+(bb[i].jcaha/(double)teller));
+                r0+i, 140.3+(bb[i].jcaha/static_cast<double>(teller)));
     }
 
     for (i = 0; (i < efhNR); i++)