Merge release-4-6 into release-5-0

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

diff --git a/src/gromacs/gmxana/gmx_analyze.c b/src/gromacs/gmxana/gmx_analyze.c
index 494e19e3e0dca82b5429ccf6c1e89ebdb47c75f4..480c1c67b2c164ebcab95e860b7e8afa63c5a8c2 100644 (file)
--- a/src/gromacs/gmxana/gmx_analyze.c
+++ b/src/gromacs/gmxana/gmx_analyze.c
@@ -290,7 +290,7 @@ void histogram(const char *distfile, real binwidth, int n, int nset, real **val,
         }
         if (s < nset-1)
         {
-            fprintf(fp, "&\n");
+            fprintf(fp, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
         }
     }
     gmx_ffclose(fp);
@@ -610,9 +610,16 @@ static void estimate_error(const char *eefile, int nb_min, int resol, int n,
         }
         fprintf(stdout, "Set %3d:  err.est. %g  a %g  tau1 %g  tau2 %g\n",
                 s+1, ee, a, tau1, tau2);
-        fprintf(fp, "@ legend string %d \"av %f\"\n", 2*s, av[s]);
-        fprintf(fp, "@ legend string %d \"ee %6g\"\n",
-                2*s+1, sig[s]*anal_ee_inf(fitparm, n*dt));
+        if (output_env_get_xvg_format(oenv) == exvgXMGR)
+        {
+            fprintf(fp, "@ legend string %d \"av %f\"\n", 2*s, av[s]);
+            fprintf(fp, "@ legend string %d \"ee %6g\"\n", 2*s+1, sig[s]*anal_ee_inf(fitparm, n*dt));
+        }
+        else if (output_env_get_xvg_format(oenv) == exvgXMGRACE)
+        {
+            fprintf(fp, "@ s%d legend \"av %f\"\n", 2*s, av[s]);
+            fprintf(fp, "@ s%d legend \"ee %6g\"\n", 2*s+1, sig[s]*anal_ee_inf(fitparm, n*dt));
+        }
         for (i = 0; i < nbs; i++)
         {
             fprintf(fp, "%g %g %g\n", tbs[i], sig[s]*sqrt(ybs[i]/(n*dt)),
@@ -668,7 +675,7 @@ static void estimate_error(const char *eefile, int nb_min, int resol, int n,
                     s+1, sig[s]*anal_ee_inf(ac_fit, n*dt),
                     ac_fit[1], ac_fit[0], ac_fit[2]);
 
-            fprintf(fp, "&\n");
+            fprintf(fp, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
             for (i = 0; i < nbs; i++)
             {
                 fprintf(fp, "%g %g\n", tbs[i],
@@ -679,7 +686,7 @@ static void estimate_error(const char *eefile, int nb_min, int resol, int n,
         }
         if (s < nset-1)
         {
-            fprintf(fp, "&\n");
+            fprintf(fp, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
         }
     }
     sfree(fitsig);
@@ -1352,7 +1359,7 @@ int gmx_analyze(int argc, char *argv[])
             }
             if (s < nset-1)
             {
-                fprintf(out, "&\n");
+                fprintf(out, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
             }
         }
         gmx_ffclose(out);