make default settings() functions for bonded interactions error out with arguments
This commit is contained in:
@ -75,6 +75,16 @@ void Angle::init()
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init_style();
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init_style();
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}
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}
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/* ----------------------------------------------------------------------
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check that there are no arguments
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------------------------------------------------------------------------- */
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void Angle::settings(int narg, char **args)
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{
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if (narg > 0)
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error->all(FLERR, "Illegal angle_style {} argument: {}", force->angle_style, args[0]);
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}
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/* ----------------------------------------------------------------------
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/* ----------------------------------------------------------------------
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setup for energy, virial computation
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setup for energy, virial computation
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see integrate::ev_set() for bitwise settings of eflag/vflag
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see integrate::ev_set() for bitwise settings of eflag/vflag
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@ -50,7 +50,7 @@ class Angle : protected Pointers {
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~Angle() override;
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~Angle() override;
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virtual void init();
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virtual void init();
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virtual void compute(int, int) = 0;
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virtual void compute(int, int) = 0;
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virtual void settings(int, char **) {}
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virtual void settings(int, char **);
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virtual void coeff(int, char **) = 0;
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virtual void coeff(int, char **) = 0;
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virtual void init_style(){};
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virtual void init_style(){};
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virtual double equilibrium_angle(int) = 0;
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virtual double equilibrium_angle(int) = 0;
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10
src/bond.cpp
10
src/bond.cpp
@ -86,6 +86,16 @@ void Bond::init()
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init_style();
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init_style();
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}
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}
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/* ----------------------------------------------------------------------
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check that there are no arguments
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------------------------------------------------------------------------- */
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void Bond::settings(int narg, char **args)
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{
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if (narg > 0)
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error->all(FLERR, "Illegal bond_style {} argument: {}", force->bond_style, args[0]);
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}
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/* ----------------------------------------------------------------------
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/* ----------------------------------------------------------------------
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setup for energy, virial computation
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setup for energy, virial computation
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see integrate::ev_set() for bitwise settings of eflag/vflag
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see integrate::ev_set() for bitwise settings of eflag/vflag
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@ -53,7 +53,7 @@ class Bond : protected Pointers {
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virtual void init();
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virtual void init();
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virtual void init_style() {}
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virtual void init_style() {}
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virtual void compute(int, int) = 0;
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virtual void compute(int, int) = 0;
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virtual void settings(int, char **) {}
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virtual void settings(int, char **);
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virtual void coeff(int, char **) = 0;
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virtual void coeff(int, char **) = 0;
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virtual double equilibrium_distance(int) = 0;
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virtual double equilibrium_distance(int) = 0;
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virtual void write_restart(FILE *) = 0;
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virtual void write_restart(FILE *) = 0;
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@ -74,6 +74,16 @@ void Dihedral::init()
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init_style();
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init_style();
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}
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}
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/* ----------------------------------------------------------------------
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check that there are no arguments
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------------------------------------------------------------------------- */
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void Dihedral::settings(int narg, char **args)
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{
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if (narg > 0)
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error->all(FLERR, "Illegal dihedral_style {} argument: {}", force->dihedral_style, args[0]);
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}
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/* ----------------------------------------------------------------------
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/* ----------------------------------------------------------------------
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setup for energy, virial computation
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setup for energy, virial computation
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see integrate::ev_set() for bitwise settings of eflag/vflag
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see integrate::ev_set() for bitwise settings of eflag/vflag
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@ -48,7 +48,7 @@ class Dihedral : protected Pointers {
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virtual void init();
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virtual void init();
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virtual void init_style() {}
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virtual void init_style() {}
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virtual void compute(int, int) = 0;
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virtual void compute(int, int) = 0;
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virtual void settings(int, char **) {}
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virtual void settings(int, char **);
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virtual void coeff(int, char **) = 0;
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virtual void coeff(int, char **) = 0;
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virtual void write_restart(FILE *) = 0;
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virtual void write_restart(FILE *) = 0;
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virtual void read_restart(FILE *) = 0;
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virtual void read_restart(FILE *) = 0;
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@ -73,6 +73,16 @@ void Improper::init()
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init_style();
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init_style();
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}
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}
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/* ----------------------------------------------------------------------
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check that there are no arguments
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------------------------------------------------------------------------- */
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void Improper::settings(int narg, char **args)
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{
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if (narg > 0)
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error->all(FLERR, "Illegal improper_style {} argument: {}", force->improper_style, args[0]);
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}
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/* ----------------------------------------------------------------------
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/* ----------------------------------------------------------------------
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setup for energy, virial computation
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setup for energy, virial computation
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see integrate::ev_set() for bitwise settings of eflag/vflag
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see integrate::ev_set() for bitwise settings of eflag/vflag
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@ -48,7 +48,7 @@ class Improper : protected Pointers {
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virtual void init();
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virtual void init();
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virtual void init_style() {}
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virtual void init_style() {}
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virtual void compute(int, int) = 0;
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virtual void compute(int, int) = 0;
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virtual void settings(int, char **) {}
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virtual void settings(int, char **);
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virtual void coeff(int, char **) = 0;
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virtual void coeff(int, char **) = 0;
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virtual void write_restart(FILE *) = 0;
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virtual void write_restart(FILE *) = 0;
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virtual void read_restart(FILE *) = 0;
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virtual void read_restart(FILE *) = 0;
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