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massive patch to flag non-numeric input

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This commit is contained in:
Axel Kohlmeyer
2013-06-23 14:34:38 +02:00
parent b60eac7278
commit 0e04550043
178 changed files with 1134 additions and 1070 deletions
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22
src/pair.cpp
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@ -126,23 +126,23 @@ void Pair::modify_params(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"table") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
ncoultablebits = atoi(arg[iarg+1]);
ncoultablebits = force->inumeric(FLERR,arg[iarg+1]);
if (ncoultablebits > sizeof(float)*CHAR_BIT)
error->all(FLERR,"Too many total bits for bitmapped lookup table");
iarg += 2;
} else if (strcmp(arg[iarg],"table/disp") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
ndisptablebits = atoi(arg[iarg+1]);
ndisptablebits = force->inumeric(FLERR,arg[iarg+1]);
if (ndisptablebits > sizeof(float)*CHAR_BIT)
error->all(FLERR,"Too many total bits for bitmapped lookup table");
iarg += 2;
} else if (strcmp(arg[iarg],"tabinner") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
tabinner = atof(arg[iarg+1]);
tabinner = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"tabinner/disp") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
tabinner_disp = atof(arg[iarg+1]);
tabinner_disp = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"tail") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
@ -1454,12 +1454,12 @@ void Pair::write_file(int narg, char **arg)
// parse arguments
int itype = atoi(arg[0]);
int jtype = atoi(arg[1]);
int itype = force->inumeric(FLERR,arg[0]);
int jtype = force->inumeric(FLERR,arg[1]);
if (itype < 1 || itype > atom->ntypes || jtype < 1 || jtype > atom->ntypes)
error->all(FLERR,"Invalid atom types in pair_write command");
int n = atoi(arg[2]);
int n = force->inumeric(FLERR,arg[2]);
int style;
if (strcmp(arg[3],"r") == 0) style = RLINEAR;
@ -1467,8 +1467,8 @@ void Pair::write_file(int narg, char **arg)
else if (strcmp(arg[3],"bitmap") == 0) style = BMP;
else error->all(FLERR,"Invalid style in pair_write command");
double inner = atof(arg[4]);
double outer = atof(arg[5]);
double inner = force->numeric(FLERR,arg[4]);
double outer = force->numeric(FLERR,arg[5]);
if (inner <= 0.0 || inner >= outer)
error->all(FLERR,"Invalid cutoffs in pair_write command");
@ -1508,8 +1508,8 @@ void Pair::write_file(int narg, char **arg)
double q[2];
q[0] = q[1] = 1.0;
if (narg == 10) {
q[0] = atof(arg[8]);
q[1] = atof(arg[9]);
q[0] = force->numeric(FLERR,arg[8]);
q[1] = force->numeric(FLERR,arg[9]);
}
double *q_hold;