{
if (debug)
{
- fprintf(debug, "%d.%d.%dX%sX%s", dx, rr1, rr2, *resinfo1[index1[rr1 + 1]].name,
+ fprintf(debug,
+ "%d.%d.%dX%sX%s",
+ dx,
+ rr1,
+ rr2,
+ *resinfo1[index1[rr1 + 1]].name,
*resinfo2[index2[rr2 + 1]].name);
}
dx = 1;
}
if (debug)
{
- fprintf(debug, " -> %s%d-%s%d %s%d-%s%d", *resinfo1[rnr1].name, rnr1, *atnms1[index1[i1]],
- index1[i1], *resinfo2[rnr2].name, rnr2, *atnms2[index2[i2]], index2[i2]);
+ fprintf(debug,
+ " -> %s%d-%s%d %s%d-%s%d",
+ *resinfo1[rnr1].name,
+ rnr1,
+ *atnms1[index1[i1]],
+ index1[i1],
+ *resinfo2[rnr2].name,
+ rnr2,
+ *atnms2[index2[i2]],
+ index2[i2]);
}
m1 = find_res_end(i1, *isize1, index1, atoms1);
m2 = find_res_end(i2, *isize2, index2, atoms2);
real* msds;
- if (!parse_common_args(&argc, argv, PCA_CAN_VIEW, NFILE, fnm, asize(pa), pa, asize(desc), desc,
- 0, nullptr, &oenv))
+ if (!parse_common_args(
+ &argc, argv, PCA_CAN_VIEW, NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, nullptr, &oenv))
{
return 0;
}
if (matchndxfile)
{
fp = gmx_ffopen(matchndxfile, "w");
- fprintf(fp, "; Matching atoms between %s from %s and %s from %s\n", groupnames1,
- conf1file, groupnames2, conf2file);
+ fprintf(fp,
+ "; Matching atoms between %s from %s and %s from %s\n",
+ groupnames1,
+ conf1file,
+ groupnames2,
+ conf2file);
fprintf(fp, "[ Match_%s_%s ]\n", conf1file, groupnames1);
for (i = 0; i < isize1; i++)
{
{
if (warn < 20)
{
- fprintf(stderr, "Warning: atomnames at index %d don't match: %d %s, %d %s\n", i + 1,
- index1[i] + 1, name1, index2[i] + 1, name2);
+ fprintf(stderr,
+ "Warning: atomnames at index %d don't match: %d %s, %d %s\n",
+ i + 1,
+ index1[i] + 1,
+ name1,
+ index2[i] + 1,
+ name2);
}
warn++;
}
default:
if (bBfac)
{
- fprintf(stderr, "WARNING: cannot write B-factor values to %s file\n",
+ fprintf(stderr,
+ "WARNING: cannot write B-factor values to %s file\n",
ftp2ext(fn2ftp(outfile)));
}
if (!bOne)
{
- fprintf(stderr, "WARNING: cannot write the reference structure to %s file\n",
+ fprintf(stderr,
+ "WARNING: cannot write the reference structure to %s file\n",
ftp2ext(fn2ftp(outfile)));
}
write_sto_conf(outfile, *top2->name, atoms2, x2, v2, pbcType2, box2);