*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* 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 <string.h>
-#include "macros.h"
-#include "vec.h"
-#include "sysstuff.h"
-#include "typedefs.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/legacyheaders/typedefs.h"
#include "gromacs/fileio/filenm.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/commandline/pargs.h"
-#include "gromacs/fileio/futil.h"
-#include "gmx_fatal.h"
-#include "smalloc.h"
-#include "pbc.h"
-#include "xvgr.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/pbcutil/pbc.h"
+#include "gromacs/fileio/xvgr.h"
#include "gmx_ana.h"
+#include "gromacs/utility/fatalerror.h"
typedef struct {
char *label;
*(atoms->resinfo[resnr].name),
atoms->resinfo[resnr].nr,
anr+1);
- cg[ncg].label = strdup(buf);
+ cg[ncg].label = gmx_strdup(buf);
ncg++;
}
}
matrix box;
output_env_t oenv;
- if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_BE_NICE,
+ if (!parse_common_args(&argc, argv, PCA_CAN_TIME,
NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
{
return 0;
{
fprintf(fp, "%10g %10g\n", time[k], cgdist[i][j][k]);
}
- ffclose(fp);
+ gmx_ffclose(fp);
}
}
}
}
for (m = 0; (m < 3); m++)
{
- ffclose(out[m]);
+ gmx_ffclose(out[m]);
if (nset[m] == 0)
{
remove(fn[m]);