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replace calls to force->*numeric() with the corresponding utils::*numeric()

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this also removes the now obsolete functions from Force
This commit is contained in:
Axel Kohlmeyer
2020-08-29 19:32:03 -04:00
parent 27b4e93bf5
commit 96d8d12a88
506 changed files with 3042 additions and 3135 deletions
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66
src/dump_image.cpp
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@ -153,7 +153,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[iarg],"adiam") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal dump image command");
adiam = NUMERIC;
adiamvalue = force->numeric(FLERR,arg[iarg+1]);
adiamvalue = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (adiamvalue <= 0.0) error->all(FLERR,"Illegal dump image command");
iarg += 2;
@ -168,7 +168,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
else error->all(FLERR,"Illegal dump image command");
if (!islower(arg[iarg+2][0])) {
bdiam = NUMERIC;
bdiamvalue = force->numeric(FLERR,arg[iarg+2]);
bdiamvalue = utils::numeric(FLERR,arg[iarg+2],false,lmp);
if (bdiamvalue <= 0.0) error->all(FLERR,"Illegal dump image command");
} else if (strcmp(arg[iarg+2],"atom") == 0) bdiam = ATOM;
else if (strcmp(arg[iarg+2],"type") == 0) bdiam = TYPE;
@ -183,7 +183,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[iarg+1],"type") == 0) lcolor = TYPE;
else error->all(FLERR,"Illegal dump image command");
ldiam = NUMERIC;
ldiamvalue = force->numeric(FLERR,arg[iarg+2]);
ldiamvalue = utils::numeric(FLERR,arg[iarg+2],false,lmp);
iarg += 3;
} else if (strcmp(arg[iarg],"tri") == 0) {
@ -191,8 +191,8 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
triflag = YES;
if (strcmp(arg[iarg+1],"type") == 0) tcolor = TYPE;
else error->all(FLERR,"Illegal dump image command");
tstyle = force->inumeric(FLERR,arg[iarg+2]);
tdiamvalue = force->numeric(FLERR,arg[iarg+3]);
tstyle = utils::inumeric(FLERR,arg[iarg+2],false,lmp);
tdiamvalue = utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
} else if (strcmp(arg[iarg],"body") == 0) {
@ -200,8 +200,8 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
bodyflag = YES;
if (strcmp(arg[iarg+1],"type") == 0) bodycolor = TYPE;
else error->all(FLERR,"Illegal dump image command");
bodyflag1 = force->numeric(FLERR,arg[iarg+2]);
bodyflag2 = force->numeric(FLERR,arg[iarg+3]);
bodyflag1 = utils::numeric(FLERR,arg[iarg+2],false,lmp);
bodyflag2 = utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
} else if (strcmp(arg[iarg],"fix") == 0) {
@ -210,14 +210,14 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
fixID = arg[iarg+1];
if (strcmp(arg[iarg+2],"type") == 0) fixcolor = TYPE;
else error->all(FLERR,"Illegal dump image command");
fixflag1 = force->numeric(FLERR,arg[iarg+3]);
fixflag2 = force->numeric(FLERR,arg[iarg+4]);
fixflag1 = utils::numeric(FLERR,arg[iarg+3],false,lmp);
fixflag2 = utils::numeric(FLERR,arg[iarg+4],false,lmp);
iarg += 5;
} else if (strcmp(arg[iarg],"size") == 0) {
if (iarg+3 > narg) error->all(FLERR,"Illegal dump image command");
int width = force->inumeric(FLERR,arg[iarg+1]);
int height = force->inumeric(FLERR,arg[iarg+2]);
int width = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
int height = utils::inumeric(FLERR,arg[iarg+2],false,lmp);
if (width <= 0 || height <= 0)
error->all(FLERR,"Illegal dump image command");
image->width = width;
@ -231,7 +231,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
thetastr = new char[n];
strcpy(thetastr,&arg[iarg+1][2]);
} else {
double theta = force->numeric(FLERR,arg[iarg+1]);
double theta = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (theta < 0.0 || theta > 180.0)
error->all(FLERR,"Invalid dump image theta value");
theta *= MY_PI/180.0;
@ -242,7 +242,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
phistr = new char[n];
strcpy(phistr,&arg[iarg+2][2]);
} else {
double phi = force->numeric(FLERR,arg[iarg+2]);
double phi = utils::numeric(FLERR,arg[iarg+2],false,lmp);
phi *= MY_PI/180.0;
image->phi = phi;
}
@ -258,19 +258,19 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
cxstr = new char[n];
strcpy(cxstr,&arg[iarg+2][2]);
cflag = DYNAMIC;
} else cx = force->numeric(FLERR,arg[iarg+2]);
} else cx = utils::numeric(FLERR,arg[iarg+2],false,lmp);
if (strstr(arg[iarg+3],"v_") == arg[iarg+3]) {
int n = strlen(&arg[iarg+3][2]) + 1;
cystr = new char[n];
strcpy(cystr,&arg[iarg+3][2]);
cflag = DYNAMIC;
} else cy = force->numeric(FLERR,arg[iarg+3]);
} else cy = utils::numeric(FLERR,arg[iarg+3],false,lmp);
if (strstr(arg[iarg+4],"v_") == arg[iarg+4]) {
int n = strlen(&arg[iarg+4][2]) + 1;
czstr = new char[n];
strcpy(czstr,&arg[iarg+4][2]);
cflag = DYNAMIC;
} else cz = force->numeric(FLERR,arg[iarg+4]);
} else cz = utils::numeric(FLERR,arg[iarg+4],false,lmp);
iarg += 5;
} else if (strcmp(arg[iarg],"up") == 0) {
@ -279,17 +279,17 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
int n = strlen(&arg[iarg+1][2]) + 1;
upxstr = new char[n];
strcpy(upxstr,&arg[iarg+1][2]);
} else image->up[0] = force->numeric(FLERR,arg[iarg+1]);
} else image->up[0] = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (strstr(arg[iarg+2],"v_") == arg[iarg+2]) {
int n = strlen(&arg[iarg+2][2]) + 1;
upystr = new char[n];
strcpy(upystr,&arg[iarg+2][2]);
} else image->up[1] = force->numeric(FLERR,arg[iarg+2]);
} else image->up[1] = utils::numeric(FLERR,arg[iarg+2],false,lmp);
if (strstr(arg[iarg+3],"v_") == arg[iarg+3]) {
int n = strlen(&arg[iarg+3][2]) + 1;
upzstr = new char[n];
strcpy(upzstr,&arg[iarg+3][2]);
} else image->up[2] = force->numeric(FLERR,arg[iarg+3]);
} else image->up[2] = utils::numeric(FLERR,arg[iarg+3],false,lmp);
iarg += 4;
} else if (strcmp(arg[iarg],"zoom") == 0) {
@ -299,7 +299,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
zoomstr = new char[n];
strcpy(zoomstr,&arg[iarg+1][2]);
} else {
double zoom = force->numeric(FLERR,arg[iarg+1]);
double zoom = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (zoom <= 0.0) error->all(FLERR,"Illegal dump image command");
image->zoom = zoom;
}
@ -313,7 +313,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
perspstr = new char[n];
strcpy(perspstr,&arg[iarg+1][2]);
} else {
double persp = force->numeric(FLERR,arg[iarg+1]);
double persp = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (persp < 0.0) error->all(FLERR,"Illegal dump image command");
image->persp = persp;
}
@ -324,7 +324,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[iarg+1],"yes") == 0) boxflag = YES;
else if (strcmp(arg[iarg+1],"no") == 0) boxflag = NO;
else error->all(FLERR,"Illegal dump image command");
boxdiam = force->numeric(FLERR,arg[iarg+2]);
boxdiam = utils::numeric(FLERR,arg[iarg+2],false,lmp);
if (boxdiam < 0.0) error->all(FLERR,"Illegal dump image command");
iarg += 3;
@ -333,8 +333,8 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[iarg+1],"yes") == 0) axesflag = YES;
else if (strcmp(arg[iarg+1],"no") == 0) axesflag = NO;
else error->all(FLERR,"Illegal dump image command");
axeslen = force->numeric(FLERR,arg[iarg+2]);
axesdiam = force->numeric(FLERR,arg[iarg+3]);
axeslen = utils::numeric(FLERR,arg[iarg+2],false,lmp);
axesdiam = utils::numeric(FLERR,arg[iarg+3],false,lmp);
if (axeslen < 0.0 || axesdiam < 0.0)
error->all(FLERR,"Illegal dump image command");
iarg += 4;
@ -344,13 +344,13 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[iarg+1],"yes") == 0) subboxflag = YES;
else if (strcmp(arg[iarg+1],"no") == 0) subboxflag = NO;
else error->all(FLERR,"Illegal dump image command");
subboxdiam = force->numeric(FLERR,arg[iarg+2]);
subboxdiam = utils::numeric(FLERR,arg[iarg+2],false,lmp);
if (subboxdiam < 0.0) error->all(FLERR,"Illegal dump image command");
iarg += 3;
} else if (strcmp(arg[iarg],"shiny") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal dump image command");
double shiny = force->numeric(FLERR,arg[iarg+1]);
double shiny = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (shiny < 0.0 || shiny > 1.0)
error->all(FLERR,"Illegal dump image command");
image->shiny = shiny;
@ -361,10 +361,10 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[iarg+1],"yes") == 0) image->ssao = YES;
else if (strcmp(arg[iarg+1],"no") == 0) image->ssao = NO;
else error->all(FLERR,"Illegal dump image command");
int seed = force->inumeric(FLERR,arg[iarg+2]);
int seed = utils::inumeric(FLERR,arg[iarg+2],false,lmp);
if (seed <= 0) error->all(FLERR,"Illegal dump image command");
image->seed = seed;
double ssaoint = force->numeric(FLERR,arg[iarg+3]);
double ssaoint = utils::numeric(FLERR,arg[iarg+3],false,lmp);
if (ssaoint < 0.0 || ssaoint > 1.0)
error->all(FLERR,"Illegal dump image command");
image->ssaoint = ssaoint;
@ -1282,7 +1282,7 @@ int DumpImage::modify_param(int narg, char **arg)
if (narg < 3) error->all(FLERR,"Illegal dump_modify command");
int nlo,nhi;
utils::bounds(FLERR,arg[1],1,atom->ntypes,nlo,nhi,error);
double diam = force->numeric(FLERR,arg[2]);
double diam = utils::numeric(FLERR,arg[2],false,lmp);
if (diam <= 0.0) error->all(FLERR,"Illegal dump_modify command");
for (int i = nlo; i <= nhi; i++) diamtype[i] = diam;
return 3;
@ -1296,7 +1296,7 @@ int DumpImage::modify_param(int narg, char **arg)
else if (arg[3][0] == 'c') factor = 2;
else if (arg[3][0] == 'd') factor = 3;
else error->all(FLERR,"Illegal dump_modify command");
int nentry = force->inumeric(FLERR,arg[5]);
int nentry = utils::inumeric(FLERR,arg[5],false,lmp);
if (nentry < 1) error->all(FLERR,"Illegal dump_modify command");
int n = 6 + factor*nentry;
if (narg < n) error->all(FLERR,"Illegal dump_modify command");
@ -1347,7 +1347,7 @@ int DumpImage::modify_param(int narg, char **arg)
error->all(FLERR,"Dump modify bdiam not allowed with no bond types");
int nlo,nhi;
utils::bounds(FLERR,arg[1],1,atom->nbondtypes,nlo,nhi,error);
double diam = force->numeric(FLERR,arg[2]);
double diam = utils::numeric(FLERR,arg[2],false,lmp);
if (diam <= 0.0) error->all(FLERR,"Illegal dump_modify command");
for (int i = nlo; i <= nhi; i++) bdiamtype[i] = diam;
return 3;
@ -1373,7 +1373,9 @@ int DumpImage::modify_param(int narg, char **arg)
if (strcmp(arg[0],"color") == 0) {
if (narg < 5) error->all(FLERR,"Illegal dump_modify command");
int flag = image->addcolor(arg[1],force->numeric(FLERR,arg[2]),force->numeric(FLERR,arg[3]),force->numeric(FLERR,arg[4]));
int flag = image->addcolor(arg[1],utils::numeric(FLERR,arg[2],false,lmp),
utils::numeric(FLERR,arg[3],false,lmp),
utils::numeric(FLERR,arg[4],false,lmp));
if (flag) error->all(FLERR,"Illegal dump_modify command");
return 5;
}