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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2013-06-28 19:00:58 +00:00
parent fcc992d386
commit aa33af4032
94 changed files with 638 additions and 590 deletions
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48
src/dump_image.cpp
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@ -113,7 +113,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[iarg],"adiam") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal dump image command");
adiam = NUMERIC;
adiamvalue = atof(arg[iarg+1]);
adiamvalue = force->numeric(FLERR,arg[iarg+1]);
if (adiamvalue <= 0.0) error->all(FLERR,"Illegal dump image command");
iarg += 2;
@ -135,7 +135,7 @@ 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 = atof(arg[iarg+2]);
bdiamvalue = force->numeric(FLERR,arg[iarg+2]);
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;
@ -145,8 +145,8 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[iarg],"size") == 0) {
if (iarg+3 > narg) error->all(FLERR,"Illegal dump image command");
int width = atoi(arg[iarg+1]);
int height = atoi(arg[iarg+2]);
int width = force->inumeric(FLERR,arg[iarg+1]);
int height = force->inumeric(FLERR,arg[iarg+2]);
if (width <= 0 || height <= 0)
error->all(FLERR,"Illegal dump image command");
image->width = width;
@ -160,7 +160,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
thetastr = new char[n];
strcpy(thetastr,&arg[iarg+1][2]);
} else {
double theta = atof(arg[iarg+1]);
double theta = force->numeric(FLERR,arg[iarg+1]);
if (theta < 0.0 || theta > 180.0)
error->all(FLERR,"Invalid dump image theta value");
theta *= MY_PI/180.0;
@ -171,7 +171,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
phistr = new char[n];
strcpy(phistr,&arg[iarg+2][2]);
} else {
double phi = atof(arg[iarg+2]);
double phi = force->numeric(FLERR,arg[iarg+2]);
phi *= MY_PI/180.0;
image->phi = phi;
}
@ -187,19 +187,19 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
cxstr = new char[n];
strcpy(cxstr,&arg[iarg+2][2]);
cflag = DYNAMIC;
} else cx = atof(arg[iarg+2]);
} else cx = force->numeric(FLERR,arg[iarg+2]);
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 = atof(arg[iarg+3]);
} else cy = force->numeric(FLERR,arg[iarg+3]);
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 = atof(arg[iarg+4]);
} else cz = force->numeric(FLERR,arg[iarg+4]);
iarg += 5;
} else if (strcmp(arg[iarg],"up") == 0) {
@ -208,17 +208,17 @@ 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] = atof(arg[iarg+1]);
} else image->up[0] = force->numeric(FLERR,arg[iarg+1]);
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] = atof(arg[iarg+2]);
} else image->up[1] = force->numeric(FLERR,arg[iarg+2]);
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] = atof(arg[iarg+3]);
} else image->up[2] = force->numeric(FLERR,arg[iarg+3]);
iarg += 4;
} else if (strcmp(arg[iarg],"zoom") == 0) {
@ -228,7 +228,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
zoomstr = new char[n];
strcpy(zoomstr,&arg[iarg+1][2]);
} else {
double zoom = atof(arg[iarg+1]);
double zoom = force->numeric(FLERR,arg[iarg+1]);
if (zoom <= 0.0) error->all(FLERR,"Illegal dump image command");
image->zoom = zoom;
}
@ -242,7 +242,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
perspstr = new char[n];
strcpy(perspstr,&arg[iarg+1][2]);
} else {
double persp = atof(arg[iarg+1]);
double persp = force->numeric(FLERR,arg[iarg+1]);
if (persp < 0.0) error->all(FLERR,"Illegal dump image command");
image->persp = persp;
}
@ -253,7 +253,7 @@ 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 = atof(arg[iarg+2]);
boxdiam = force->numeric(FLERR,arg[iarg+2]);
if (boxdiam < 0.0) error->all(FLERR,"Illegal dump image command");
iarg += 3;
@ -262,15 +262,15 @@ 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 = atof(arg[iarg+2]);
axesdiam = atof(arg[iarg+3]);
axeslen = force->numeric(FLERR,arg[iarg+2]);
axesdiam = force->numeric(FLERR,arg[iarg+3]);
if (axeslen < 0.0 || axesdiam < 0.0)
error->all(FLERR,"Illegal dump image command");
iarg += 4;
} else if (strcmp(arg[iarg],"shiny") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal dump image command");
double shiny = atof(arg[iarg+1]);
double shiny = force->numeric(FLERR,arg[iarg+1]);
if (shiny < 0.0 || shiny > 1.0)
error->all(FLERR,"Illegal dump image command");
image->shiny = shiny;
@ -281,10 +281,10 @@ 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 = atoi(arg[iarg+2]);
int seed = force->inumeric(FLERR,arg[iarg+2]);
if (seed <= 0) error->all(FLERR,"Illegal dump image command");
image->seed = seed;
double ssaoint = atof(arg[iarg+3]);
double ssaoint = force->numeric(FLERR,arg[iarg+3]);
if (ssaoint < 0.0 || ssaoint > 1.0)
error->all(FLERR,"Illegal dump image command");
image->ssaoint = ssaoint;
@ -929,7 +929,7 @@ int DumpImage::modify_param(int narg, char **arg)
if (narg < 3) error->all(FLERR,"Illegal dump_modify command");
int nlo,nhi;
force->bounds(arg[1],atom->ntypes,nlo,nhi);
double diam = atof(arg[2]);
double diam = force->numeric(FLERR,arg[2]);
if (diam <= 0.0) error->all(FLERR,"Illegal dump_modify command");
for (int i = nlo; i <= nhi; i++) diamtype[i] = diam;
return 3;
@ -940,7 +940,7 @@ int DumpImage::modify_param(int narg, char **arg)
if (strlen(arg[3]) != 2) error->all(FLERR,"Illegal dump_modify command");
int factor = 2;
if (arg[3][0] == 's') factor = 1;
int nentry = atoi(arg[5]);
int nentry = force->inumeric(FLERR,arg[5]);
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");
@ -991,7 +991,7 @@ int DumpImage::modify_param(int narg, char **arg)
error->all(FLERR,"Dump modify bdiam not allowed with no bond types");
int nlo,nhi;
force->bounds(arg[1],atom->ntypes,nlo,nhi);
double diam = atof(arg[2]);
double diam = force->numeric(FLERR,arg[2]);
if (diam <= 0.0) error->all(FLERR,"Illegal dump_modify command");
for (int i = nlo; i <= nhi; i++) bdiamtype[i] = diam;
return 3;
@ -1017,7 +1017,7 @@ 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],atof(arg[2]),atof(arg[3]),atof(arg[4]));
int flag = image->addcolor(arg[1],force->numeric(FLERR,arg[2]),force->numeric(FLERR,arg[3]),force->numeric(FLERR,arg[4]));
if (flag) error->all(FLERR,"Illegal dump_modify command");
return 5;
}