Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_dielectric.c

diff --git a/src/gromacs/gmxana/gmx_dielectric.c b/src/gromacs/gmxana/gmx_dielectric.c
index 37714d3e276628c7569b88bfaa7a9ee82940e211..5f4ce8844609862a753050b9da8b6464a1154dbc 100644 (file)
--- a/src/gromacs/gmxana/gmx_dielectric.c
+++ b/src/gromacs/gmxana/gmx_dielectric.c
@@ -34,28 +34,25 @@
  * To help us fund GROMACS development, we humbly ask that you cite
  * the research papers on the package. Check out http://www.gromacs.org.
  */
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
+
+#include <math.h>
 #include <stdio.h>
 #include <stdlib.h>
-#include <ctype.h>
-#include <math.h>
 
-#include "copyrite.h"
-#include "typedefs.h"
-#include "string2.h"
-#include "gstat.h"
-#include "smalloc.h"
-#include "macros.h"
-#include "xvgr.h"
-#include "correl.h"
-#include "gmx_ana.h"
-#include "gmx_fatal.h"
-
-#include "gromacs/fileio/futil.h"
+#include "gromacs/fileio/xvgr.h"
+#include "gromacs/gmxana/correl.h"
+#include "gromacs/gmxana/gmx_ana.h"
+#include "gromacs/gmxana/gstat.h"
+#include "gromacs/legacyheaders/copyrite.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/viewit.h"
 #include "gromacs/math/gmxcomplex.h"
 #include "gromacs/math/utilities.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/smalloc.h"
 
 /* Determines at which point in the array the fit should start */
 int calc_nbegin(int nx, real x[], real tbegin)
@@ -132,7 +129,7 @@ real numerical_deriv(int nx, real x[], real y[], real fity[], real combined[], r
         }
     }
 
-    tmpfp        = ffopen("integral_smth.xvg", "w");
+    tmpfp        = gmx_ffopen("integral_smth.xvg", "w");
     integralSmth = print_and_integrate(tmpfp, nx, x[1]-x[0], combined, NULL, 1);
     printf("SMOOTH integral = %10.5e\n", integralSmth);
 
@@ -224,8 +221,8 @@ void do_four(const char *fn, const char *cn, int nx, real x[], real dy[],
     }
     printf("MAXEPS = %10.5e at frequency %10.5e GHz (tauD = %8.1f ps)\n",
            maxeps, numax, 1000/(2*M_PI*numax));
-    ffclose(fp);
-    ffclose(cp);
+    gmx_ffclose(fp);
+    gmx_ffclose(cp);
     sfree(tmp);
 }
 
@@ -301,7 +298,7 @@ int gmx_dielectric(int argc, char *argv[])
           "Number of points for smoothing" }
     };
 
-    if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_CAN_VIEW | PCA_BE_NICE,
+    if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_CAN_VIEW,
                            NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
     {
         return 0;