Sort all includes in src/gromacs

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

diff --git a/src/gromacs/gmxana/sfactor.c b/src/gromacs/gmxana/sfactor.c
index 9bb0b9eaa6de08075de0a8cb302785237f81efa8..8cc7492d771b83ab909984ba6f144ba551e689ba 100644 (file)
--- a/src/gromacs/gmxana/sfactor.c
+++ b/src/gromacs/gmxana/sfactor.c
@@ -34,27 +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 "gromacs/utility/smalloc.h"
-#include "gromacs/utility/futil.h"
-#include "gromacs/math/utilities.h"
-#include "gromacs/utility/fatalerror.h"
-#include "gromacs/math/vec.h"
-#include "macros.h"
-#include "index.h"
+#include "sfactor.h"
+
+#include "gromacs/fileio/gmxfio.h"
 #include "gromacs/fileio/strdb.h"
 #include "gromacs/fileio/tpxio.h"
 #include "gromacs/fileio/trxio.h"
-#include "typedefs.h"
-#include "oenv.h"
-#include "gromacs/fileio/gmxfio.h"
 #include "gromacs/fileio/xvgr.h"
-#include "gromacs/fileio/matio.h"
-#include "names.h"
-#include "sfactor.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/oenv.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/math/utilities.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/topology/index.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/smalloc.h"
 
 
 typedef struct gmx_structurefactors {
@@ -285,7 +283,7 @@ extern gmx_structurefactors_t *gmx_structurefactors_init(const char *datfn)
         if (sscanf(line, "%s %d %lf %lf %lf %lf %lf %lf %lf %lf %lf",
                    atomn, &p, &a1, &a2, &a3, &a4, &b1, &b2, &b3, &b4, &c) == 11)
         {
-            gsf->atomnm[i] = strdup(atomn);
+            gsf->atomnm[i] = gmx_strdup(atomn);
             gsf->p[i]      = p;
             snew(gsf->a[i], 4);
             snew(gsf->b[i], 4);
@@ -350,8 +348,6 @@ extern void rearrange_atoms (reduced_atom_t * positions, t_trxframe *fr, atom_id
     {
         copy_rvec (fr->x[index[i]], pos[i].x);
     }
-
-    positions = (reduced_atom_t *)pos;
 }