* 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 <string.h>
#include <math.h>
#include "gromacs/utility/cstringutil.h"
-#include "typedefs.h"
-#include "gmx_fatal.h"
-#include "vec.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/math/vec.h"
#include "gromacs/utility/smalloc.h"
#include "gromacs/fileio/enxio.h"
#include "gromacs/commandline/pargs.h"
-#include "names.h"
-#include "macros.h"
-#include "xvgr.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/fileio/xvgr.h"
#include "gstat.h"
-#include "physics.h"
+#include "gromacs/math/units.h"
#include "gromacs/fileio/matio.h"
#include "gromacs/fileio/strdb.h"
#include "gmx_ana.h"
t_filenm fnm[] = {
{ efEDR, "-f", NULL, ffOPTRD },
- { efDAT, "-groups", "groups.dat", ffREAD },
- { efDAT, "-eref", "eref.dat", ffOPTRD },
- { efXPM, "-emat", "emat", ffWRITE },
+ { efDAT, "-groups", "groups", ffREAD },
+ { efDAT, "-eref", "eref", ffOPTRD },
+ { efXPM, "-emat", "emat", ffWRITE },
{ efXVG, "-etot", "energy", ffWRITE }
};
#define NFILE asize(fnm)
- if (!parse_common_args(&argc, argv, PCA_CAN_VIEW | PCA_CAN_TIME | PCA_BE_NICE,
+ if (!parse_common_args(&argc, argv, PCA_CAN_VIEW | PCA_CAN_TIME,
NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
{
return 0;
oenv);
xvgr_legend(out, 0, NULL, oenv);
j = 0;
- for (m = 0; (m < egNR+egSP); m++)
+ if (output_env_get_print_xvgr_codes(oenv))
{
- if (egrp_use[m])
+ char str1[STRLEN], str2[STRLEN];
+ if (output_env_get_xvg_format(oenv) == exvgXMGR)
{
- fprintf(out, "@ legend string %d \"%s\"\n", j++, egrp_nm[m]);
+ sprintf(str1, "@ legend string ");
+ sprintf(str2, " ");
}
- }
- if (bFree)
- {
- fprintf(out, "@ legend string %d \"%s\"\n", j++, "Free");
- }
- if (bFree)
- {
- fprintf(out, "@ legend string %d \"%s\"\n", j++, "Diff");
- }
- fprintf(out, "@TYPE xy\n");
- fprintf(out, "#%3s", "grp");
- for (m = 0; (m < egNR+egSP); m++)
- {
- if (egrp_use[m])
+ else
{
- fprintf(out, " %9s", egrp_nm[m]);
+ sprintf(str1, "@ s");
+ sprintf(str2, " legend ");
}
+
+ for (m = 0; (m < egNR+egSP); m++)
+ {
+ if (egrp_use[m])
+ {
+ fprintf(out, "%s%d%s \"%s\"\n", str1, j++, str2, egrp_nm[m]);
+ }
+ }
+ if (bFree)
+ {
+ fprintf(out, "%s%d%s \"%s\"\n", str1, j++, str2, "Free");
+ }
+ if (bFree)
+ {
+ fprintf(out, "%s%d%s \"%s\"\n", str1, j++, str2, "Diff");
+ }
+ fprintf(out, "@TYPE xy\n");
+ fprintf(out, "#%3s", "grp");
+
+ for (m = 0; (m < egNR+egSP); m++)
+ {
+ if (egrp_use[m])
+ {
+ fprintf(out, " %9s", egrp_nm[m]);
+ }
+ }
+ if (bFree)
+ {
+ fprintf(out, " %9s", "Free");
+ }
+ if (bFree)
+ {
+ fprintf(out, " %9s", "Diff");
+ }
+ fprintf(out, "\n");
}
- if (bFree)
- {
- fprintf(out, " %9s", "Free");
- }
- if (bFree)
- {
- fprintf(out, " %9s", "Diff");
- }
- fprintf(out, "\n");
for (i = 0; (i < ngroups); i++)
{
fprintf(out, "%3.0f", groupnr[i]);