- axis1 = gmx_ffopen(opt2fn("-a1", NFILE, fnm), "w");
- axis2 = gmx_ffopen(opt2fn("-a2", NFILE, fnm), "w");
- axis3 = gmx_ffopen(opt2fn("-a3", NFILE, fnm), "w");
- fmoi = gmx_ffopen(opt2fn("-om", NFILE, fnm), "w");
+ snew(legend, DIM);
+ for (i = 0; i < DIM; i++)
+ {
+ snew(legend[i], STRLEN);
+ sprintf(legend[i], "%c component", 'X'+i);
+ }
+
+ axis1 = xvgropen(opt2fn("-a1", NFILE, fnm), "Principal axis 1 (major axis)",
+ output_env_get_xvgr_tlabel(oenv), "Component (nm)", oenv);
+ xvgr_legend(axis1, DIM, (const char **)legend, oenv);
+
+ axis2 = xvgropen(opt2fn("-a2", NFILE, fnm), "Principal axis 2 (middle axis)",
+ output_env_get_xvgr_tlabel(oenv), "Component (nm)", oenv);
+ xvgr_legend(axis2, DIM, (const char **)legend, oenv);
+
+ axis3 = xvgropen(opt2fn("-a3", NFILE, fnm), "Principal axis 3 (minor axis)",
+ output_env_get_xvgr_tlabel(oenv), "Component (nm)", oenv);
+ xvgr_legend(axis3, DIM, (const char **)legend, oenv);
+
+ sprintf(legend[XX], "Axis 1 (major)");
+ sprintf(legend[YY], "Axis 2 (middle)");
+ sprintf(legend[ZZ], "Axis 3 (minor)");
+
+ fmoi = xvgropen(opt2fn("-om", NFILE, fnm), "Moments of inertia around inertial axes",
+ output_env_get_xvgr_tlabel(oenv), "I (au nm\\S2\\N)", oenv);
+ xvgr_legend(fmoi, DIM, (const char **)legend, oenv);
+
+ for (i = 0; i < DIM; i++)
+ {
+ sfree(legend[i]);
+ }
+ sfree(legend);