}
fprintf(stderr,"\n");
if (bContact)
- fp = xvgropen(fn,"Uninterrupted contact lifetime","Time (ps)","()",oenv);
+ fp = xvgropen(fn,"Uninterrupted contact lifetime",output_env_get_xvgr_tlabel(oenv),"()",oenv);
else
- fp = xvgropen(fn,"Uninterrupted hydrogen bond lifetime","Time (ps)","()",
+ fp = xvgropen(fn,"Uninterrupted hydrogen bond lifetime",output_env_get_xvgr_tlabel(oenv),"()",
oenv);
xvgr_legend(fp,asize(leg),leg,oenv);
/* printf("\nNumber of data points is less than the number of parameters to fit\n." */
/* "The system is underdetermined, hence no ballistic term can be found.\n\n"); */
- fp = xvgropen(fn, "Hydrogen Bond Autocorrelation","Time (ps)","C(t)");
+ fp = xvgropen(fn, "Hydrogen Bond Autocorrelation",output_env_get_xvgr_tlabel(oenv),"C(t)");
xvgr_legend(fp,asize(legNN),legNN);
for(j=0; (j<nn); j++)
if (bContact)
- fp = xvgropen(fn, "Contact Autocorrelation","Time (ps)","C(t)",oenv);
+ fp = xvgropen(fn, "Contact Autocorrelation",output_env_get_xvgr_tlabel(oenv),"C(t)",oenv);
else
- fp = xvgropen(fn, "Hydrogen Bond Autocorrelation","Time (ps)","C(t)",oenv);
+ fp = xvgropen(fn, "Hydrogen Bond Autocorrelation",output_env_get_xvgr_tlabel(oenv),"C(t)",oenv);
xvgr_legend(fp,asize(legGem),(const char**)legGem,oenv);
for(j=0; (j<nn); j++)
if (bContact)
- fp = xvgropen(fn, "Contact Autocorrelation","Time (ps)","C(t)",oenv);
+ fp = xvgropen(fn, "Contact Autocorrelation",output_env_get_xvgr_tlabel(oenv),"C(t)",oenv);
else
- fp = xvgropen(fn, "Hydrogen Bond Autocorrelation","Time (ps)","C(t)",oenv);
+ fp = xvgropen(fn, "Hydrogen Bond Autocorrelation",output_env_get_xvgr_tlabel(oenv),"C(t)",oenv);
xvgr_legend(fp,asize(legLuzar),legLuzar, oenv);
if (!fn)
return;
if (!fp) {
- fp = xvgropen(fn,"Donor properties","Time (ps)","Number",oenv);
+ fp = xvgropen(fn,"Donor properties",output_env_get_xvgr_tlabel(oenv),"Number",oenv);
xvgr_legend(fp,asize(leg),leg,oenv);
}
nbound = 0;
npargs = asize(pa);
ppa = add_acf_pargs(&npargs,pa);
- parse_common_args(&argc,argv,PCA_CAN_TIME | PCA_BE_NICE,NFILE,fnm,npargs,
+ parse_common_args(&argc,argv,PCA_CAN_TIME | PCA_TIME_UNIT | PCA_BE_NICE,NFILE,fnm,npargs,
ppa,asize(desc),desc,asize(bugs),bugs,&oenv);
/* NN-loop? If so, what estimator to use ?*/
if (opt2bSet("-nhbdist",NFILE,fnm)) {
const char *leg[MAXHH+1] = { "0 HBs", "1 HB", "2 HBs", "3 HBs", "Total" };
fpnhb = xvgropen(opt2fn("-nhbdist",NFILE,fnm),
- "Number of donor-H with N HBs","Time (ps)","N",oenv);
+ "Number of donor-H with N HBs",output_env_get_xvgr_tlabel(oenv),"N",oenv);
xvgr_legend(fpnhb,asize(leg),leg,oenv);
}
dump_grid(debug, ngrid, grid);
add_frames(hb,nframes);
- init_hbframe(hb,nframes,t);
+ init_hbframe(hb,nframes,output_env_conv_time(oenv,t));
if (hb->bDAnr)
count_da_grid(ngrid, grid, hb->danr[nframes]);
aver_nhb = 0;
aver_dist = 0;
fp = xvgropen(opt2fn("-num",NFILE,fnm),bContact ? "Contacts" :
- "Hydrogen Bonds","Time","Number",oenv);
+ "Hydrogen Bonds",output_env_get_xvgr_tlabel(oenv),"Number",oenv);
snew(leg,2);
snew(leg[0],STRLEN);
snew(leg[1],STRLEN);
/* Print HB in alpha-helix */
if (opt2bSet("-hx",NFILE,fnm)) {
fp = xvgropen(opt2fn("-hx",NFILE,fnm),
- "Hydrogen Bonds","Time(ps)","Count",oenv);
+ "Hydrogen Bonds",output_env_get_xvgr_tlabel(oenv),"Count",oenv);
xvgr_legend(fp,NRHXTYPES,hxtypenames,oenv);
for(i=0; i<nframes; i++) {
fprintf(fp,"%10g",hb->time[i]);
sprintf(mat.title,bContact ? "Contact Existence Map":
"Hydrogen Bond Existence Map");
sprintf(mat.legend,bContact ? "Contacts" : "Hydrogen Bonds");
- sprintf(mat.label_x,"Time (ps)");
+ sprintf(mat.label_x,output_env_get_xvgr_tlabel(oenv));
sprintf(mat.label_y, bContact ? "Contact Index" : "Hydrogen Bond Index");
mat.bDiscrete=TRUE;
mat.nmap=2;
#define USE_THIS_GROUP(j) ( (j == gr0) || (bTwo && (j == gr1)) )
fp = xvgropen(opt2fn("-dan",NFILE,fnm),
- "Donors and Acceptors","Time(ps)","Count",oenv);
+ "Donors and Acceptors",output_env_get_xvgr_tlabel(oenv),"Count",oenv);
nleg = (bTwo?2:1)*2;
snew(legnames,nleg);
i=0;