T2345: Replace instances of NULL with nullptr
The following changes have been applied to src and lib folders: regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib) Manually find/change: (void \*) nullptr ⇒ nullptr (1 case) regex find: ".*?nullptr.*?" Manually ~14 cases back to "NULL" in src, ~2 in lib regex finds a few false positive where nullptr appears between two strings in a function call
This commit is contained in:
Anne Gunn
238
src/atom.cpp
238
src/atom.cpp
@ -83,113 +83,113 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
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nbondtypes = nangletypes = ndihedraltypes = nimpropertypes = 0;
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nbonds = nangles = ndihedrals = nimpropers = 0;
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firstgroupname = NULL;
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firstgroupname = nullptr;
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sortfreq = 1000;
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nextsort = 0;
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userbinsize = 0.0;
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maxbin = maxnext = 0;
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binhead = NULL;
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next = permute = NULL;
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binhead = nullptr;
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next = permute = nullptr;
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// data structure with info on per-atom vectors/arrays
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nperatom = maxperatom = 0;
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peratom = NULL;
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peratom = nullptr;
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// --------------------------------------------------------------------
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// 1st customization section: customize by adding new per-atom variables
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tag = NULL;
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type = mask = NULL;
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image = NULL;
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x = v = f = NULL;
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tag = nullptr;
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type = mask = nullptr;
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image = nullptr;
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x = v = f = nullptr;
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// charged and dipolar particles
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q = NULL;
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mu = NULL;
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q = nullptr;
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mu = nullptr;
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// finite-size particles
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omega = angmom = torque = NULL;
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radius = rmass = NULL;
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ellipsoid = line = tri = body = NULL;
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omega = angmom = torque = nullptr;
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radius = rmass = nullptr;
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ellipsoid = line = tri = body = nullptr;
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// molecular systems
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molecule = NULL;
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molindex = molatom = NULL;
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molecule = nullptr;
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molindex = molatom = nullptr;
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bond_per_atom = extra_bond_per_atom = 0;
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num_bond = NULL;
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bond_type = NULL;
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bond_atom = NULL;
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num_bond = nullptr;
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bond_type = nullptr;
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bond_atom = nullptr;
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angle_per_atom = extra_angle_per_atom = 0;
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num_angle = NULL;
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angle_type = NULL;
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angle_atom1 = angle_atom2 = angle_atom3 = NULL;
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num_angle = nullptr;
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angle_type = nullptr;
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angle_atom1 = angle_atom2 = angle_atom3 = nullptr;
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dihedral_per_atom = extra_dihedral_per_atom = 0;
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num_dihedral = NULL;
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dihedral_type = NULL;
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dihedral_atom1 = dihedral_atom2 = dihedral_atom3 = dihedral_atom4 = NULL;
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num_dihedral = nullptr;
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dihedral_type = nullptr;
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dihedral_atom1 = dihedral_atom2 = dihedral_atom3 = dihedral_atom4 = nullptr;
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improper_per_atom = extra_improper_per_atom = 0;
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num_improper = NULL;
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improper_type = NULL;
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improper_atom1 = improper_atom2 = improper_atom3 = improper_atom4 = NULL;
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num_improper = nullptr;
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improper_type = nullptr;
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improper_atom1 = improper_atom2 = improper_atom3 = improper_atom4 = nullptr;
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maxspecial = 1;
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nspecial = NULL;
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special = NULL;
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nspecial = nullptr;
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special = nullptr;
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// PERI package
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vfrac = s0 = NULL;
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x0 = NULL;
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vfrac = s0 = nullptr;
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x0 = nullptr;
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// SPIN package
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sp = fm = fm_long = NULL;
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sp = fm = fm_long = nullptr;
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// USER-EFF and USER-AWPMD packages
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spin = NULL;
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eradius = ervel = erforce = NULL;
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ervelforce = NULL;
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cs = csforce = vforce = NULL;
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etag = NULL;
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spin = nullptr;
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eradius = ervel = erforce = nullptr;
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ervelforce = nullptr;
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cs = csforce = vforce = nullptr;
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etag = nullptr;
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// USER-DPD package
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uCond = uMech = uChem = uCG = uCGnew = NULL;
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duChem = dpdTheta = NULL;
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uCond = uMech = uChem = uCG = uCGnew = nullptr;
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duChem = dpdTheta = nullptr;
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// USER-MESO package
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cc = cc_flux = NULL;
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edpd_temp = edpd_flux = edpd_cv = NULL;
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cc = cc_flux = nullptr;
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edpd_temp = edpd_flux = edpd_cv = nullptr;
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// USER-MESONT package
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length = NULL;
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buckling = NULL;
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bond_nt = NULL;
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length = nullptr;
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buckling = nullptr;
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bond_nt = nullptr;
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// USER-SMD package
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contact_radius = NULL;
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smd_data_9 = NULL;
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smd_stress = NULL;
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eff_plastic_strain = NULL;
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eff_plastic_strain_rate = NULL;
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damage = NULL;
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contact_radius = nullptr;
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smd_data_9 = nullptr;
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smd_stress = nullptr;
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eff_plastic_strain = nullptr;
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eff_plastic_strain_rate = nullptr;
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damage = nullptr;
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// USER-SPH package
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rho = drho = esph = desph = cv = NULL;
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vest = NULL;
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rho = drho = esph = desph = cv = nullptr;
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vest = nullptr;
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// end of customization section
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// --------------------------------------------------------------------
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@ -197,14 +197,14 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
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// user-defined molecules
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nmolecule = 0;
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molecules = NULL;
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molecules = nullptr;
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// custom atom arrays
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nivector = ndvector = 0;
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ivector = NULL;
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dvector = NULL;
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iname = dname = NULL;
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ivector = nullptr;
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dvector = nullptr;
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iname = dname = nullptr;
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// initialize atom style and array existence flags
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@ -216,16 +216,16 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
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// ntype-length arrays
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mass = NULL;
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mass_setflag = NULL;
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mass = nullptr;
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mass_setflag = nullptr;
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// callback lists & extra restart info
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nextra_grow = nextra_restart = nextra_border = 0;
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extra_grow = extra_restart = extra_border = NULL;
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extra_grow = extra_restart = extra_border = nullptr;
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nextra_grow_max = nextra_restart_max = nextra_border_max = 0;
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nextra_store = 0;
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extra = NULL;
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extra = nullptr;
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// default atom ID and mapping values
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@ -235,15 +235,15 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
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map_maxarray = map_nhash = map_nbucket = -1;
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max_same = 0;
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sametag = NULL;
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map_array = NULL;
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map_bucket = NULL;
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map_hash = NULL;
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sametag = nullptr;
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map_array = nullptr;
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map_bucket = nullptr;
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map_hash = nullptr;
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unique_tags = nullptr;
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atom_style = NULL;
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avec = NULL;
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atom_style = nullptr;
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avec = nullptr;
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avec_map = new AtomVecCreatorMap();
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@ -288,7 +288,7 @@ Atom::~Atom()
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delete [] iname[i];
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memory->destroy(ivector[i]);
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}
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if (dvector != NULL) {
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if (dvector != nullptr) {
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for (int i = 0; i < ndvector; i++) {
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delete [] dname[i];
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memory->destroy(dvector[i]);
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@ -352,7 +352,7 @@ void Atom::peratom_create()
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delete [] peratom[i].name;
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memory->sfree(peratom);
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peratom = NULL;
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peratom = nullptr;
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nperatom = maxperatom = 0;
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// --------------------------------------------------------------------
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@ -533,7 +533,7 @@ void Atom::add_peratom(const char *name, void *address,
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peratom[nperatom].datatype = datatype;
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peratom[nperatom].cols = cols;
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peratom[nperatom].threadflag = threadflag;
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peratom[nperatom].address_length = NULL;
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peratom[nperatom].address_length = nullptr;
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nperatom++;
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}
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@ -629,8 +629,8 @@ void Atom::create_avec(const std::string &style, int narg, char **arg, int trysu
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{
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delete [] atom_style;
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if (avec) delete avec;
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atom_style = NULL;
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avec = NULL;
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atom_style = nullptr;
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avec = nullptr;
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// unset atom style and array existence flags
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// may have been set by old avec
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@ -702,7 +702,7 @@ AtomVec *Atom::new_avec(const std::string &style, int trysuffix, int &sflag)
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}
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error->all(FLERR,utils::check_packages_for_style("atom",style,lmp));
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return NULL;
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return nullptr;
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}
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/* ----------------------------------------------------------------------
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@ -723,7 +723,7 @@ void Atom::init()
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if (nextra_store) {
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memory->destroy(extra);
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extra = NULL;
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extra = nullptr;
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nextra_store = 0;
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}
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@ -756,7 +756,7 @@ void Atom::setup()
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/* ----------------------------------------------------------------------
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return ptr to AtomVec class if matches style or to matching hybrid sub-class
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return NULL if no match
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return nullptr if no match
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------------------------------------------------------------------------- */
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AtomVec *Atom::style_match(const char *style)
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@ -768,7 +768,7 @@ AtomVec *Atom::style_match(const char *style)
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if (strcmp(avec_hybrid->keywords[i],style) == 0)
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return avec_hybrid->styles[i];
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}
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return NULL;
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return nullptr;
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}
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/* ----------------------------------------------------------------------
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@ -807,7 +807,7 @@ void Atom::modify_params(int narg, char **arg)
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if (iarg+2 > narg) error->all(FLERR,"Illegal atom_modify command");
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if (strcmp(arg[iarg+1],"all") == 0) {
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delete [] firstgroupname;
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firstgroupname = NULL;
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firstgroupname = nullptr;
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} else {
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int n = strlen(arg[iarg+1]) + 1;
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firstgroupname = new char[n];
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@ -983,33 +983,33 @@ void Atom::deallocate_topology()
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{
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memory->destroy(atom->bond_type);
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memory->destroy(atom->bond_atom);
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atom->bond_type = NULL;
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atom->bond_atom = NULL;
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atom->bond_type = nullptr;
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atom->bond_atom = nullptr;
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memory->destroy(atom->angle_type);
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memory->destroy(atom->angle_atom1);
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memory->destroy(atom->angle_atom2);
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memory->destroy(atom->angle_atom3);
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atom->angle_type = NULL;
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atom->angle_atom1 = atom->angle_atom2 = atom->angle_atom3 = NULL;
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atom->angle_type = nullptr;
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atom->angle_atom1 = atom->angle_atom2 = atom->angle_atom3 = nullptr;
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memory->destroy(atom->dihedral_type);
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memory->destroy(atom->dihedral_atom1);
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memory->destroy(atom->dihedral_atom2);
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memory->destroy(atom->dihedral_atom3);
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memory->destroy(atom->dihedral_atom4);
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atom->dihedral_type = NULL;
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atom->dihedral_type = nullptr;
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atom->dihedral_atom1 = atom->dihedral_atom2 =
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atom->dihedral_atom3 = atom->dihedral_atom4 = NULL;
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atom->dihedral_atom3 = atom->dihedral_atom4 = nullptr;
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memory->destroy(atom->improper_type);
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memory->destroy(atom->improper_atom1);
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memory->destroy(atom->improper_atom2);
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memory->destroy(atom->improper_atom3);
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memory->destroy(atom->improper_atom4);
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atom->improper_type = NULL;
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atom->improper_type = nullptr;
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atom->improper_atom1 = atom->improper_atom2 =
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atom->improper_atom3 = atom->improper_atom4 = NULL;
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atom->improper_atom3 = atom->improper_atom4 = nullptr;
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}
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/* ----------------------------------------------------------------------
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@ -1108,11 +1108,11 @@ void Atom::data_atoms(int n, char *buf, tagint id_offset, tagint mol_offset,
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next = strchr(buf,'\n');
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values[0] = strtok(buf," \t\n\r\f");
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if (values[0] == NULL)
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if (values[0] == nullptr)
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error->all(FLERR,"Incorrect atom format in data file");
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for (m = 1; m < nwords; m++) {
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values[m] = strtok(NULL," \t\n\r\f");
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if (values[m] == NULL)
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values[m] = strtok(nullptr," \t\n\r\f");
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if (values[m] == nullptr)
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error->all(FLERR,"Incorrect atom format in data file");
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}
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@ -1195,7 +1195,7 @@ void Atom::data_vels(int n, char *buf, tagint id_offset)
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values[0] = strtok(buf," \t\n\r\f");
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for (j = 1; j < nwords; j++)
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values[j] = strtok(NULL," \t\n\r\f");
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values[j] = strtok(nullptr," \t\n\r\f");
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tagdata = ATOTAGINT(values[0]) + id_offset;
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if (tagdata <= 0 || tagdata > map_tag_max)
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@ -1210,7 +1210,7 @@ void Atom::data_vels(int n, char *buf, tagint id_offset)
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/* ----------------------------------------------------------------------
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process N bonds read into buf from data files
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if count is non-NULL, just count bonds per atom
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if count is non-nullptr, just count bonds per atom
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else store them with atoms
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check that atom IDs are > 0 and <= map_tag_max
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------------------------------------------------------------------------- */
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@ -1265,7 +1265,7 @@ void Atom::data_bonds(int n, char *buf, int *count, tagint id_offset,
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/* ----------------------------------------------------------------------
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process N angles read into buf from data files
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if count is non-NULL, just count angles per atom
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if count is non-nullptr, just count angles per atom
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else store them with atoms
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check that atom IDs are > 0 and <= map_tag_max
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------------------------------------------------------------------------- */
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@ -1337,7 +1337,7 @@ void Atom::data_angles(int n, char *buf, int *count, tagint id_offset,
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/* ----------------------------------------------------------------------
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process N dihedrals read into buf from data files
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if count is non-NULL, just count diihedrals per atom
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if count is non-nullptr, just count diihedrals per atom
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else store them with atoms
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check that atom IDs are > 0 and <= map_tag_max
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------------------------------------------------------------------------- */
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@ -1428,7 +1428,7 @@ void Atom::data_dihedrals(int n, char *buf, int *count, tagint id_offset,
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/* ----------------------------------------------------------------------
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process N impropers read into buf from data files
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if count is non-NULL, just count impropers per atom
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if count is non-nullptr, just count impropers per atom
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else store them with atoms
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check that atom IDs are > 0 and <= map_tag_max
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------------------------------------------------------------------------- */
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@ -1547,7 +1547,7 @@ void Atom::data_bonus(int n, char *buf, AtomVec *avec_bonus, tagint id_offset)
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values[0] = strtok(buf," \t\n\r\f");
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for (j = 1; j < nwords; j++)
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values[j] = strtok(NULL," \t\n\r\f");
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values[j] = strtok(nullptr," \t\n\r\f");
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tagdata = ATOTAGINT(values[0]) + id_offset;
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if (tagdata <= 0 || tagdata > map_tag_max)
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@ -1577,8 +1577,8 @@ void Atom::data_bodies(int n, char *buf, AtomVec *avec_body, tagint id_offset)
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int maxint = 0;
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int maxdouble = 0;
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int *ivalues = NULL;
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double *dvalues = NULL;
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int *ivalues = nullptr;
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double *dvalues = nullptr;
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if (!unique_tags) unique_tags = new std::set<tagint>;
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@ -1588,7 +1588,7 @@ void Atom::data_bodies(int n, char *buf, AtomVec *avec_body, tagint id_offset)
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for (int i = 0; i < n; i++) {
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if (i == 0) tagdata = ATOTAGINT(strtok(buf," \t\n\r\f")) + id_offset;
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else tagdata = ATOTAGINT(strtok(NULL," \t\n\r\f")) + id_offset;
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else tagdata = ATOTAGINT(strtok(nullptr," \t\n\r\f")) + id_offset;
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if (tagdata <= 0 || tagdata > map_tag_max)
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error->one(FLERR,"Invalid atom ID in Bodies section of data file");
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@ -1598,8 +1598,8 @@ void Atom::data_bodies(int n, char *buf, AtomVec *avec_body, tagint id_offset)
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else
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error->one(FLERR,"Duplicate atom ID in Bodies section of data file");
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ninteger = utils::inumeric(FLERR,strtok(NULL," \t\n\r\f"),false,lmp);
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ndouble = utils::inumeric(FLERR,strtok(NULL," \t\n\r\f"),false,lmp);
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ninteger = utils::inumeric(FLERR,strtok(nullptr," \t\n\r\f"),false,lmp);
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ndouble = utils::inumeric(FLERR,strtok(nullptr," \t\n\r\f"),false,lmp);
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if ((m = map(tagdata)) >= 0) {
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if (ninteger > maxint) {
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@ -1614,16 +1614,16 @@ void Atom::data_bodies(int n, char *buf, AtomVec *avec_body, tagint id_offset)
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}
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|
||||
for (j = 0; j < ninteger; j++)
|
||||
ivalues[j] = utils::inumeric(FLERR,strtok(NULL," \t\n\r\f"),false,lmp);
|
||||
ivalues[j] = utils::inumeric(FLERR,strtok(nullptr," \t\n\r\f"),false,lmp);
|
||||
for (j = 0; j < ndouble; j++)
|
||||
dvalues[j] = utils::numeric(FLERR,strtok(NULL," \t\n\r\f"),false,lmp);
|
||||
dvalues[j] = utils::numeric(FLERR,strtok(nullptr," \t\n\r\f"),false,lmp);
|
||||
|
||||
avec_body->data_body(m,ninteger,ndouble,ivalues,dvalues);
|
||||
|
||||
} else {
|
||||
nvalues = ninteger + ndouble; // number of values to skip
|
||||
for (j = 0; j < nvalues; j++)
|
||||
strtok(NULL," \t\n\r\f");
|
||||
strtok(nullptr," \t\n\r\f");
|
||||
}
|
||||
}
|
||||
|
||||
@ -1680,7 +1680,7 @@ void Atom::allocate_type_arrays()
|
||||
|
||||
void Atom::set_mass(const char *file, int line, const char *str, int type_offset)
|
||||
{
|
||||
if (mass == NULL) error->all(file,line,"Cannot set mass for this atom style");
|
||||
if (mass == nullptr) error->all(file,line,"Cannot set mass for this atom style");
|
||||
|
||||
int itype;
|
||||
double mass_one;
|
||||
@ -1704,7 +1704,7 @@ void Atom::set_mass(const char *file, int line, const char *str, int type_offset
|
||||
|
||||
void Atom::set_mass(const char *file, int line, int itype, double value)
|
||||
{
|
||||
if (mass == NULL) error->all(file,line,"Cannot set mass for this atom style");
|
||||
if (mass == nullptr) error->all(file,line,"Cannot set mass for this atom style");
|
||||
if (itype < 1 || itype > ntypes)
|
||||
error->all(file,line,"Invalid type for mass set");
|
||||
|
||||
@ -1721,7 +1721,7 @@ void Atom::set_mass(const char *file, int line, int itype, double value)
|
||||
|
||||
void Atom::set_mass(const char *file, int line, int /*narg*/, char **arg)
|
||||
{
|
||||
if (mass == NULL) error->all(file,line,"Cannot set mass for this atom style");
|
||||
if (mass == nullptr) error->all(file,line,"Cannot set mass for this atom style");
|
||||
|
||||
int lo,hi;
|
||||
utils::bounds(file,line,arg[0],1,ntypes,lo,hi,error);
|
||||
@ -1754,7 +1754,7 @@ void Atom::set_mass(double *values)
|
||||
|
||||
void Atom::check_mass(const char *file, int line)
|
||||
{
|
||||
if (mass == NULL) return;
|
||||
if (mass == nullptr) return;
|
||||
if (rmass_flag) return;
|
||||
for (int itype = 1; itype <= ntypes; itype++)
|
||||
if (mass_setflag[itype] == 0)
|
||||
@ -1864,7 +1864,7 @@ void Atom::add_molecule(int narg, char **arg)
|
||||
|
||||
int Atom::find_molecule(char *id)
|
||||
{
|
||||
if(id == NULL) return -1;
|
||||
if(id == nullptr) return -1;
|
||||
int imol;
|
||||
for (imol = 0; imol < nmolecule; imol++)
|
||||
if (strcmp(id,molecules[imol]->id) == 0) return imol;
|
||||
@ -2201,14 +2201,14 @@ void Atom::add_callback(int flag)
|
||||
int ifix;
|
||||
|
||||
// find the fix
|
||||
// if find NULL ptr:
|
||||
// if find nullptr ptr:
|
||||
// it's this one, since it is being replaced and has just been deleted
|
||||
// at this point in re-creation
|
||||
// if don't find NULL ptr:
|
||||
// if don't find nullptr ptr:
|
||||
// i is set to nfix = new one currently being added at end of list
|
||||
|
||||
for (ifix = 0; ifix < modify->nfix; ifix++)
|
||||
if (modify->fix[ifix] == NULL) break;
|
||||
if (modify->fix[ifix] == nullptr) break;
|
||||
|
||||
// add callback to lists and sort, reallocating if necessary
|
||||
// sorting is required in cases where fixes were replaced as it ensures atom
|
||||
@ -2249,7 +2249,7 @@ void Atom::add_callback(int flag)
|
||||
|
||||
void Atom::delete_callback(const char *id, int flag)
|
||||
{
|
||||
if (id == NULL) return;
|
||||
if (id == nullptr) return;
|
||||
|
||||
int ifix = modify->find_fix(id);
|
||||
|
||||
@ -2310,7 +2310,7 @@ void Atom::update_callback(int ifix)
|
||||
|
||||
int Atom::find_custom(const char *name, int &flag)
|
||||
{
|
||||
if(name == NULL) return -1;
|
||||
if(name == nullptr) return -1;
|
||||
|
||||
for (int i = 0; i < nivector; i++)
|
||||
if (iname[i] && strcmp(iname[i],name) == 0) {
|
||||
@ -2374,7 +2374,7 @@ int Atom::add_custom(const char *name, int flag)
|
||||
\verbatim embed:rst
|
||||
This will remove a property that was requested e.g. by the
|
||||
:doc:`fix property/atom <fix_property_atom>` command. It frees the
|
||||
allocated memory and sets the pointer to ``NULL`` to the entry in
|
||||
allocated memory and sets the pointer to ``nullptr`` to the entry in
|
||||
the list can be reused. The lists of those pointers will never be
|
||||
compacted or never shrink, so that index to name mappings remain valid.
|
||||
\endverbatim
|
||||
@ -2386,14 +2386,14 @@ void Atom::remove_custom(int flag, int index)
|
||||
{
|
||||
if (flag == 0) {
|
||||
memory->destroy(ivector[index]);
|
||||
ivector[index] = NULL;
|
||||
ivector[index] = nullptr;
|
||||
delete [] iname[index];
|
||||
iname[index] = NULL;
|
||||
iname[index] = nullptr;
|
||||
} else {
|
||||
memory->destroy(dvector[index]);
|
||||
dvector[index] = NULL;
|
||||
dvector[index] = nullptr;
|
||||
delete [] dname[index];
|
||||
dname[index] = NULL;
|
||||
dname[index] = nullptr;
|
||||
}
|
||||
}
|
||||
|
||||
@ -2483,7 +2483,7 @@ length of the data area, and a short description.
|
||||
* - rmass
|
||||
- double
|
||||
- 1
|
||||
- per-atom mass of the particles. ``NULL`` if per-type masses are
|
||||
- per-atom mass of the particles. ``nullptr`` if per-type masses are
|
||||
used. See the :cpp:func:`rmass_flag<lammps_extract_setting>` setting.
|
||||
* - ellipsoid
|
||||
- int
|
||||
@ -2506,7 +2506,7 @@ length of the data area, and a short description.
|
||||
*
|
||||
* \param name string with the keyword of the desired property.
|
||||
Typically the name of the pointer variable returned
|
||||
* \return pointer to the requested data cast to ``void *`` or NULL */
|
||||
* \return pointer to the requested data cast to ``void *`` or nullptr */
|
||||
|
||||
void *Atom::extract(char *name)
|
||||
{
|
||||
@ -2577,7 +2577,7 @@ void *Atom::extract(char *name)
|
||||
// end of customization section
|
||||
// --------------------------------------------------------------------
|
||||
|
||||
return NULL;
|
||||
return nullptr;
|
||||
}
|
||||
|
||||
/* ----------------------------------------------------------------------
|
||||
|
||||
Reference in New Issue
Block a user