C++ (Cpp) done_atomtypes Beispiele

Beispiel #1

Datei: typedefs.c Projekt: aar2163/GROMACS

void done_top(t_topology *top)
{
  int i;
  
  done_atom (&(top->atoms));

  /* For GB */
  done_atomtypes(&(top->atomtypes));

  done_symtab(&(top->symtab));
  done_block(&(top->cgs));
  done_block(&(top->mols));
  done_blocka(&(top->excls));
}

Beispiel #2

Datei: topology.cpp Projekt: daniellandau/gromacs

void done_top(t_topology *top)
{
    sfree(top->idef.functype);
    sfree(top->idef.iparams);
    for (int f = 0; f < F_NRE; ++f)
    {
        sfree(top->idef.il[f].iatoms);
        top->idef.il[f].iatoms = NULL;
        top->idef.il[f].nalloc = 0;
    }

    done_atom(&(top->atoms));

    /* For GB */
    done_atomtypes(&(top->atomtypes));

    done_symtab(&(top->symtab));
    done_block(&(top->cgs));
    done_block(&(top->mols));
    done_blocka(&(top->excls));
}