void done_atom(t_atoms *at) { sfree(at->atom); sfree(at->resinfo); sfree(at->atomname); sfree(at->atomtype); sfree(at->atomtypeB); sfree(at->pdbinfo); init_atom(at); }
void init_top(t_topology *top) { top->name = NULL; init_atom(&(top->atoms)); init_atomtypes(&(top->atomtypes)); init_block(&top->cgs); init_block(&top->mols); init_blocka(&top->excls); open_symtab(&top->symtab); }
void init_molinfo(t_molinfo *mol) { mol->nrexcl = 0; mol->excl_set = FALSE; mol->bProcessed = FALSE; init_plist(mol->plist); init_block(&mol->cgs); init_block(&mol->mols); init_blocka(&mol->excls); init_atom(&mol->atoms); }