gmx_ana_selmethod_t sm_x = {
"x", REAL_VALUE, SMETH_DYNAMIC,
0, NULL,
- NULL,
- NULL,
- NULL,
- NULL,
- NULL,
- NULL,
- NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
&evaluate_x,
};
gmx_ana_selmethod_t sm_y = {
"y", REAL_VALUE, SMETH_DYNAMIC,
0, NULL,
- NULL,
- NULL,
- NULL,
- NULL,
- NULL,
- NULL,
- NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
&evaluate_y,
};
gmx_ana_selmethod_t sm_z = {
"z", REAL_VALUE, SMETH_DYNAMIC,
0, NULL,
- NULL,
- NULL,
- NULL,
- NULL,
- NULL,
- NULL,
- NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
+ NULL,
&evaluate_z,
};
out->nr = g->isize;
for (i = 0; i < g->isize; ++i)
{
- resind = top->atoms.atom[g->index[i]].resind;
+ resind = top->atoms.atom[g->index[i]].resind;
out->u.i[i] = top->atoms.resinfo[resind].nr;
}
}
out->nr = g->isize;
for (i = j = 0; i < g->isize; ++i)
{
- while (top->mols.index[j + 1] <= g->index[i]) ++j;
+ while (top->mols.index[j + 1] <= g->index[i])
+ {
+ ++j;
+ }
out->u.i[i] = j + 1;
}
}
out->nr = g->isize;
for (i = 0; i < g->isize; ++i)
{
- resind = top->atoms.atom[g->index[i]].resind;
+ resind = top->atoms.atom[g->index[i]].resind;
out->u.s[i] = *top->atoms.resinfo[resind].name;
}
}
out->nr = g->isize;
for (i = 0; i < g->isize; ++i)
{
- resind = top->atoms.atom[g->index[i]].resind;
+ resind = top->atoms.atom[g->index[i]].resind;
out->u.s[i][0] = top->atoms.resinfo[resind].ic;
}
}
out->nr = g->isize;
for (i = 0; i < g->isize; ++i)
{
- resind = top->atoms.atom[g->index[i]].resind;
+ resind = top->atoms.atom[g->index[i]].resind;
out->u.s[i][0] = top->atoms.resinfo[resind].chainid;
}
}