*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
const char *gtypes[egcNR+1] = {
"T-Coupling", "Energy Mon.", "Acceleration", "Freeze",
- "User1", "User2", "VCM", "Compressed X", "Or. Res. Fit", "QMMM", NULL
+ "User1", "User2", "VCM", "Compressed X", "Or. Res. Fit", "QMMM", nullptr
};
static void init_groups(gmx_groups_t *groups)
{
groups->ngrpname = 0;
- groups->grpname = NULL;
+ groups->grpname = nullptr;
for (int g = 0; g < egcNR; g++)
{
- groups->grps[g].nm_ind = NULL;
+ groups->grps[g].nm_ind = nullptr;
groups->ngrpnr[g] = 0;
- groups->grpnr[g] = NULL;
+ groups->grpnr[g] = nullptr;
}
}
void init_mtop(gmx_mtop_t *mtop)
{
- mtop->name = NULL;
+ mtop->name = nullptr;
mtop->nmoltype = 0;
- mtop->moltype = NULL;
+ mtop->moltype = nullptr;
mtop->nmolblock = 0;
- mtop->molblock = NULL;
+ mtop->molblock = nullptr;
mtop->maxres_renum = 0;
mtop->maxresnr = -1;
init_groups(&mtop->groups);
void init_top(t_topology *top)
{
- top->name = NULL;
+ top->name = nullptr;
init_atom(&(top->atoms));
init_atomtypes(&(top->atomtypes));
init_block(&top->cgs);
for (i = 0; (i < egcNR); i++)
{
- if (NULL != g->grps[i].nm_ind)
+ if (nullptr != g->grps[i].nm_ind)
{
sfree(g->grps[i].nm_ind);
- g->grps[i].nm_ind = NULL;
+ g->grps[i].nm_ind = nullptr;
}
- if (NULL != g->grpnr[i])
+ if (nullptr != g->grpnr[i])
{
sfree(g->grpnr[i]);
- g->grpnr[i] = NULL;
+ g->grpnr[i] = nullptr;
}
}
/* The contents of this array is in symtab, don't free it here */
for (int f = 0; f < F_NRE; ++f)
{
sfree(top->idef.il[f].iatoms);
- top->idef.il[f].iatoms = NULL;
+ top->idef.il[f].iatoms = nullptr;
top->idef.il[f].nalloc = 0;
}
for (int f = 0; f < F_NRE; ++f)
{
sfree(top->idef.il[f].iatoms);
- top->idef.il[f].iatoms = NULL;
+ top->idef.il[f].iatoms = nullptr;
top->idef.il[f].nalloc = 0;
}
done_atom(&top->atoms);
}
else
{
- cmp_idef(fp, &(t1->idef), NULL, ftol, abstol);
- cmp_atoms(fp, &(t1->atoms), NULL, ftol, abstol);
+ cmp_idef(fp, &(t1->idef), nullptr, ftol, abstol);
+ cmp_atoms(fp, &(t1->atoms), nullptr, ftol, abstol);
}
}
}
cmp_int(fp, "ngrpnr", i, g0->ngrpnr[i], g1->ngrpnr[i]);
if (g0->ngrpnr[i] == g1->ngrpnr[i] && natoms0 == natoms1 &&
- (g0->grpnr[i] != NULL || g1->grpnr[i] != NULL))
+ (g0->grpnr[i] != nullptr || g1->grpnr[i] != nullptr))
{
for (j = 0; j < natoms0; j++)
{