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

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

diff --git a/src/gromacs/gmxana/gmx_tcaf.c b/src/gromacs/gmxana/gmx_tcaf.c
index 15738d8c4fbce2b48742d28e6df2fcd8844ffa42..f1922f55373cb0249a5f3e95f4d8b485da36195b 100644 (file)
--- a/src/gromacs/gmxana/gmx_tcaf.c
+++ b/src/gromacs/gmxana/gmx_tcaf.c
@@ -183,20 +183,23 @@ static void process_tcaf(int nframes, real dt, int nkc, real **tc, rvec *kfac,
                 tcafc[kc][i] /= tcafc[kc][0];
                 fprintf(fp_cub, "%g %g\n", i*dt, tcafc[kc][i]);
             }
-            fprintf(fp_cub, "&\n");
+            fprintf(fp_cub, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
             tcafc[kc][0] = 1.0;
         }
     }
 
     fp_vk = xvgropen(fn_vk, "Fits", "k (nm\\S-1\\N)",
                      "\\8h\\4 (10\\S-3\\N kg m\\S-1\\N s\\S-1\\N)", oenv);
-    fprintf(fp_vk, "@    s0 symbol 2\n");
-    fprintf(fp_vk, "@    s0 symbol color 1\n");
-    fprintf(fp_vk, "@    s0 linestyle 0\n");
-    if (fn_cub)
+    if (output_env_get_print_xvgr_codes(oenv))
     {
-        fprintf(fp_vk, "@    s1 symbol 3\n");
-        fprintf(fp_vk, "@    s1 symbol color 2\n");
+        fprintf(fp_vk, "@    s0 symbol 2\n");
+        fprintf(fp_vk, "@    s0 symbol color 1\n");
+        fprintf(fp_vk, "@    s0 linestyle 0\n");
+        if (fn_cub)
+        {
+            fprintf(fp_vk, "@    s1 symbol 3\n");
+            fprintf(fp_vk, "@    s1 symbol color 2\n");
+        }
     }
     fp = xvgropen(fn_tcf, "TCAF Fits", "Time (ps)", "", oenv);
     for (k = 0; k < nk; k++)
@@ -215,7 +218,7 @@ static void process_tcaf(int nframes, real dt, int nkc, real **tc, rvec *kfac,
         {
             fprintf(fp, "%g %g\n", i*dt, fit_function(effnVAC, fitparms, i*dt));
         }
-        fprintf(fp, "&\n");
+        fprintf(fp, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
     }
     gmx_ffclose(fp);
     do_view(oenv, fn_tcf, "-nxy");
@@ -223,7 +226,7 @@ static void process_tcaf(int nframes, real dt, int nkc, real **tc, rvec *kfac,
     if (fn_cub)
     {
         fprintf(stdout, "Averaged over k-vectors:\n");
-        fprintf(fp_vk, "&\n");
+        fprintf(fp_vk, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
         for (k = 0; k < nkc; k++)
         {
             tcafc[k][0]  = 1.0;
@@ -241,9 +244,9 @@ static void process_tcaf(int nframes, real dt, int nkc, real **tc, rvec *kfac,
             {
                 fprintf(fp_cub, "%g %g\n", i*dt, fit_function(effnVAC, fitparms, i*dt));
             }
-            fprintf(fp_cub, "&\n");
+            fprintf(fp_cub, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
         }
-        fprintf(fp_vk, "&\n");
+        fprintf(fp_vk, "%s\n", output_env_get_print_xvgr_codes(oenv) ? "&" : "");
         gmx_ffclose(fp_cub);
         do_view(oenv, fn_cub, "-nxy");
     }