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consistently compare atom->molecular against enumerator constants

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This commit is contained in:
Axel Kohlmeyer
2021-03-14 01:25:22 -05:00
parent a1b26fdfc4
commit 8c4918457f
79 changed files with 89 additions and 89 deletions
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10
src/read_data.cpp
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@ -221,7 +221,7 @@ void ReadData::command(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"extra/bond/per/atom") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (! atom->molecular)
if (atom->molecular == Atom::ATOMIC)
error->all(FLERR,"No bonds allowed with this atom style");
atom->extra_bond_per_atom = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (atom->extra_bond_per_atom < 0)
@ -229,7 +229,7 @@ void ReadData::command(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"extra/angle/per/atom") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (! atom->molecular)
if (atom->molecular == Atom::ATOMIC)
error->all(FLERR,"No angles allowed with this atom style");
atom->extra_angle_per_atom = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (atom->extra_angle_per_atom < 0)
@ -237,7 +237,7 @@ void ReadData::command(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"extra/dihedral/per/atom") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (! atom->molecular)
if (atom->molecular == Atom::ATOMIC)
error->all(FLERR,"No dihedrals allowed with this atom style");
atom->extra_dihedral_per_atom = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (atom->extra_dihedral_per_atom < 0)
@ -245,7 +245,7 @@ void ReadData::command(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"extra/improper/per/atom") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (! atom->molecular)
if (atom->molecular == Atom::ATOMIC)
error->all(FLERR,"No impropers allowed with this atom style");
atom->extra_improper_per_atom = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (atom->extra_improper_per_atom < 0)
@ -253,7 +253,7 @@ void ReadData::command(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"extra/special/per/atom") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
if (! atom->molecular)
if (atom->molecular == Atom::ATOMIC)
error->all(FLERR,"No bonded interactions allowed with this atom style");
force->special_extra = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (force->special_extra < 0)