Move read_tps_conf() to confio.h

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

diff --git a/src/gromacs/gmxana/gmx_order.c b/src/gromacs/gmxana/gmx_order.c
index 28c3e777226fe247b068cdc07656851a1192b767..c0dded8283de35e32d686594ece504779146a3eb 100644 (file)
--- a/src/gromacs/gmxana/gmx_order.c
+++ b/src/gromacs/gmxana/gmx_order.c
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015, 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.
@@ -41,7 +41,6 @@
 
 #include "gromacs/commandline/pargs.h"
 #include "gromacs/fileio/confio.h"
-#include "gromacs/fileio/tpxio.h"
 #include "gromacs/fileio/trxio.h"
 #include "gromacs/fileio/xvgr.h"
 #include "gromacs/gmxana/cmat.h"
@@ -54,6 +53,7 @@
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/pbcutil/rmpbc.h"
 #include "gromacs/topology/index.h"
+#include "gromacs/utility/cstringutil.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/futil.h"
 #include "gromacs/utility/smalloc.h"
@@ -325,8 +325,8 @@ static void calc_tetra_order_parm(const char *fnNDX, const char *fnTPS,
     sfree(index);
     sfree(isize);
 
-    gmx_ffclose(fpsg);
-    gmx_ffclose(fpsk);
+    xvgrclose(fpsg);
+    xvgrclose(fpsk);
 
     fpsg = xvgropen(sgslfn,
                     "S\\sg\\N Angle Order Parameter / Slab", "(nm)", "S\\sg\\N",
@@ -341,8 +341,8 @@ static void calc_tetra_order_parm(const char *fnNDX, const char *fnTPS,
         fprintf(fpsk, "%10g  %10g\n", (i+0.5)*box[slice_dim][slice_dim]/nslice,
                 sk_slice_tot[i]/nframes);
     }
-    gmx_ffclose(fpsg);
-    gmx_ffclose(fpsk);
+    xvgrclose(fpsg);
+    xvgrclose(fpsk);
 }
 
 
@@ -830,9 +830,9 @@ void order_plot(rvec order[], real *slOrder[], const char *afile, const char *bf
                                                         0.333 * order[atom][YY]));
         }
 
-        gmx_ffclose(ord);
-        gmx_ffclose(slOrd);
     }
+    xvgrclose(ord);
+    xvgrclose(slOrd);
 }
 
 void write_bfactors(t_filenm  *fnm, int nfile, atom_id *index, atom_id *a, int nslices, int ngrps, real **order, t_topology *top, real **distvals, output_env_t oenv)
@@ -914,8 +914,7 @@ int gmx_order(int argc, char *argv[])
         "The tetrahedrality order parameters can be determined",
         "around an atom. Both angle an distance order parameters are calculated. See",
         "P.-L. Chau and A.J. Hardwick, Mol. Phys., 93, (1998), 511-518.",
-        "for more details.[BR]",
-        ""
+        "for more details."
     };
 
     static int         nslices       = 1;     /* nr of slices defined       */