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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-09-23 18:06:55 +00:00
parent 2d99de131d
commit 19e8c92a90
468 changed files with 4628 additions and 5204 deletions
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209
src/dump_image.cpp
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@ -50,15 +50,12 @@ enum{CONTINUOUS,DISCRETE,SEQUENTIAL};
enum{ABSOLUTE,FRACTIONAL};
enum{NO,YES};
#define MIN(A,B) ((A) < (B)) ? (A) : (B)
#define MAX(A,B) ((A) > (B)) ? (A) : (B)
/* ---------------------------------------------------------------------- */
DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
DumpCustom(lmp, narg, arg)
{
if (binary || multiproc) error->all("Invalid dump image filename");
if (binary || multiproc) error->all(FLERR,"Invalid dump image filename");
PI = 4.0*atan(1.0);
@ -72,12 +69,12 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
else filetype = PPM;
#ifndef LAMMPS_JPEG
if (filetype == JPG) error->all("Cannot dump JPG file");
if (filetype == JPG) error->all(FLERR,"Cannot dump JPG file");
#endif
// atom color,diameter settings
if (nfield != 2) error->all("Illegal dump image command");
if (nfield != 2) error->all(FLERR,"Illegal dump image command");
acolor = ATTRIBUTE;
if (strcmp(arg[5],"type") == 0) acolor = TYPE;
@ -125,47 +122,47 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
int iarg = ioptional;
while (iarg < narg) {
if (strcmp(arg[iarg],"adiam") == 0) {
if (iarg+2 > narg) error->all("Illegal dump image command");
if (iarg+2 > narg) error->all(FLERR,"Illegal dump image command");
adiam = NUMERIC;
adiamvalue = atof(arg[iarg+1]);
if (adiamvalue <= 0.0) error->all("Illegal dump image command");
if (adiamvalue <= 0.0) error->all(FLERR,"Illegal dump image command");
iarg += 2;
} else if (strcmp(arg[iarg],"atom") == 0) {
if (iarg+2 > narg) error->all("Illegal dump image command");
if (iarg+2 > narg) error->all(FLERR,"Illegal dump image command");
if (strcmp(arg[iarg+1],"yes") == 0) atomflag = YES;
else if (strcmp(arg[iarg+1],"no") == 0) atomflag = NO;
else error->all("Illegal dump image command");
else error->all(FLERR,"Illegal dump image command");
iarg += 2;
} else if (strcmp(arg[iarg],"bond") == 0) {
if (iarg+3 > narg) error->all("Illegal dump image command");
if (iarg+3 > narg) error->all(FLERR,"Illegal dump image command");
if (atom->nbondtypes == 0)
error->all("Dump image bond not allowed with no bond types");
error->all(FLERR,"Dump image bond not allowed with no bond types");
bondflag = YES;
if (strcmp(arg[iarg+1],"none") == 0) bondflag = NO;
else if (strcmp(arg[iarg+1],"atom") == 0) bcolor = ATOM;
else if (strcmp(arg[iarg+1],"type") == 0) bcolor = TYPE;
else error->all("Illegal dump image command");
else error->all(FLERR,"Illegal dump image command");
if (!islower(arg[iarg+2][0])) {
bdiam = NUMERIC;
bdiamvalue = atof(arg[iarg+2]);
if (bdiamvalue <= 0.0) error->all("Illegal dump image command");
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;
else if (strcmp(arg[iarg+2],"none") == 0) bondflag = NO;
else error->all("Illegal dump image command");
else error->all(FLERR,"Illegal dump image command");
iarg += 3;
} else if (strcmp(arg[iarg],"size") == 0) {
if (iarg+3 > narg) error->all("Illegal dump image command");
if (iarg+3 > narg) error->all(FLERR,"Illegal dump image command");
width = atoi(arg[iarg+1]);
height = atoi(arg[iarg+2]);
if (width <= 0 || height <= 0) error->all("Illegal dump image command");
if (width <= 0 || height <= 0) error->all(FLERR,"Illegal dump image command");
iarg += 3;
} else if (strcmp(arg[iarg],"view") == 0) {
if (iarg+3 > narg) error->all("Illegal dump image command");
if (iarg+3 > narg) error->all(FLERR,"Illegal dump image command");
if (strstr(arg[iarg+1],"v_") == arg[iarg+1]) {
int n = strlen(&arg[iarg+1][2]) + 1;
thetastr = new char[n];
@ -173,7 +170,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
} else {
theta = atof(arg[iarg+1]);
if (theta < 0.0 || theta > 180.0)
error->all("Invalid dump image theta value");
error->all(FLERR,"Invalid dump image theta value");
theta *= PI/180.0;
}
if (strstr(arg[iarg+2],"v_") == arg[iarg+2]) {
@ -187,10 +184,10 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
iarg += 3;
} else if (strcmp(arg[iarg],"center") == 0) {
if (iarg+5 > narg) error->all("Illegal dump image command");
if (iarg+5 > narg) error->all(FLERR,"Illegal dump image command");
if (strcmp(arg[iarg+1],"s") == 0) cflag = STATIC;
else if (strcmp(arg[iarg+1],"d") == 0) cflag = DYNAMIC;
else error->all("Illegal dump image command");
else error->all(FLERR,"Illegal dump image command");
if (strstr(arg[iarg+2],"v_") == arg[iarg+2]) {
int n = strlen(&arg[iarg+2][2]) + 1;
cxstr = new char[n];
@ -212,7 +209,7 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
iarg += 5;
} else if (strcmp(arg[iarg],"up") == 0) {
if (iarg+4 > narg) error->all("Illegal dump image command");
if (iarg+4 > narg) error->all(FLERR,"Illegal dump image command");
if (strstr(arg[iarg+1],"v_") == arg[iarg+1]) {
int n = strlen(&arg[iarg+1][2]) + 1;
upxstr = new char[n];
@ -231,70 +228,70 @@ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) :
iarg += 4;
} else if (strcmp(arg[iarg],"zoom") == 0) {
if (iarg+2 > narg) error->all("Illegal dump image command");
if (iarg+2 > narg) error->all(FLERR,"Illegal dump image command");
if (strstr(arg[iarg+1],"v_") == arg[iarg+1]) {
int n = strlen(&arg[iarg+1][2]) + 1;
zoomstr = new char[n];
strcpy(zoomstr,&arg[iarg+1][2]);
} else {
zoom = atof(arg[iarg+1]);
if (zoom <= 0.0) error->all("Illegal dump image command");
if (zoom <= 0.0) error->all(FLERR,"Illegal dump image command");
}
iarg += 2;
} else if (strcmp(arg[iarg],"persp") == 0) {
error->all("Dump image persp option is not yet supported");
if (iarg+2 > narg) error->all("Illegal dump image command");
error->all(FLERR,"Dump image persp option is not yet supported");
if (iarg+2 > narg) error->all(FLERR,"Illegal dump image command");
if (strstr(arg[iarg+1],"v_") == arg[iarg+1]) {
int n = strlen(&arg[iarg+1][2]) + 1;
perspstr = new char[n];
strcpy(perspstr,&arg[iarg+1][2]);
} else {
persp = atof(arg[iarg+1]);
if (persp < 0.0) error->all("Illegal dump image command");
if (persp < 0.0) error->all(FLERR,"Illegal dump image command");
}
iarg += 2;
} else if (strcmp(arg[iarg],"box") == 0) {
if (iarg+3 > narg) error->all("Illegal dump image command");
if (iarg+3 > narg) error->all(FLERR,"Illegal dump image command");
if (strcmp(arg[iarg+1],"yes") == 0) boxflag = YES;
else if (strcmp(arg[iarg+1],"no") == 0) boxflag = NO;
else error->all("Illegal dump image command");
else error->all(FLERR,"Illegal dump image command");
boxdiam = atof(arg[iarg+2]);
if (boxdiam < 0.0) error->all("Illegal dump image command");
if (boxdiam < 0.0) error->all(FLERR,"Illegal dump image command");
iarg += 3;
} else if (strcmp(arg[iarg],"axes") == 0) {
if (iarg+3 > narg) error->all("Illegal dump image command");
if (iarg+3 > narg) error->all(FLERR,"Illegal dump image command");
if (strcmp(arg[iarg+1],"yes") == 0) axesflag = YES;
else if (strcmp(arg[iarg+1],"no") == 0) axesflag = NO;
else error->all("Illegal dump image command");
else error->all(FLERR,"Illegal dump image command");
axeslen = atof(arg[iarg+2]);
axesdiam = atof(arg[iarg+3]);
if (axeslen < 0.0 || axesdiam < 0.0)
error->all("Illegal dump image command");
error->all(FLERR,"Illegal dump image command");
iarg += 4;
} else if (strcmp(arg[iarg],"shiny") == 0) {
if (iarg+2 > narg) error->all("Illegal dump image command");
if (iarg+2 > narg) error->all(FLERR,"Illegal dump image command");
shiny = atof(arg[iarg+1]);
if (shiny < 0.0 || shiny > 1.0)
error->all("Illegal dump image command");
error->all(FLERR,"Illegal dump image command");
iarg += 2;
} else if (strcmp(arg[iarg],"ssao") == 0) {
if (iarg+4 > narg) error->all("Illegal dump image command");
if (iarg+4 > narg) error->all(FLERR,"Illegal dump image command");
if (strcmp(arg[iarg+1],"yes") == 0) ssao = YES;
else if (strcmp(arg[iarg+1],"no") == 0) ssao = NO;
else error->all("Illegal dump image command");
else error->all(FLERR,"Illegal dump image command");
seed = atoi(arg[iarg+2]);
if (seed <= 0) error->all("Illegal dump image command");
if (seed <= 0) error->all(FLERR,"Illegal dump image command");
ssaoint = atof(arg[iarg+3]);
if (ssaoint < 0.0 || ssaoint > 1.0)
error->all("Illegal dump image command");
error->all(FLERR,"Illegal dump image command");
iarg += 4;
} else error->all("Illegal dump image command");
} else error->all(FLERR,"Illegal dump image command");
}
// params based on args
@ -449,8 +446,8 @@ DumpImage::~DumpImage()
void DumpImage::init_style()
{
if (multifile == 0) error->all("Dump image requires one snapshot per file");
if (sort_flag) error->all("Dump image cannot perform sorting");
if (multifile == 0) error->all(FLERR,"Dump image requires one snapshot per file");
if (sort_flag) error->all(FLERR,"Dump image cannot perform sorting");
DumpCustom::init_style();
@ -459,72 +456,72 @@ void DumpImage::init_style()
if (thetastr) {
thetavar = input->variable->find(thetastr);
if (thetavar < 0)
error->all("Variable name for dump image theta does not exist");
error->all(FLERR,"Variable name for dump image theta does not exist");
if (!input->variable->equalstyle(thetavar))
error->all("Variable for dump image theta is invalid style");
error->all(FLERR,"Variable for dump image theta is invalid style");
}
if (phistr) {
phivar = input->variable->find(phistr);
if (phivar < 0)
error->all("Variable name for dump image phi does not exist");
error->all(FLERR,"Variable name for dump image phi does not exist");
if (!input->variable->equalstyle(phivar))
error->all("Variable for dump image phi is invalid style");
error->all(FLERR,"Variable for dump image phi is invalid style");
}
if (cxstr) {
cxvar = input->variable->find(cxstr);
if (cxvar < 0)
error->all("Variable name for dump image center does not exist");
error->all(FLERR,"Variable name for dump image center does not exist");
if (!input->variable->equalstyle(cxvar))
error->all("Variable for dump image center is invalid style");
error->all(FLERR,"Variable for dump image center is invalid style");
}
if (cystr) {
cyvar = input->variable->find(cystr);
if (cyvar < 0)
error->all("Variable name for dump image center does not exist");
error->all(FLERR,"Variable name for dump image center does not exist");
if (!input->variable->equalstyle(cyvar))
error->all("Variable for dump image center is invalid style");
error->all(FLERR,"Variable for dump image center is invalid style");
}
if (czstr) {
czvar = input->variable->find(czstr);
if (czvar < 0)
error->all("Variable name for dump image center does not exist");
error->all(FLERR,"Variable name for dump image center does not exist");
if (!input->variable->equalstyle(czvar))
error->all("Variable for dump image center is invalid style");
error->all(FLERR,"Variable for dump image center is invalid style");
}
if (upxstr) {
upxvar = input->variable->find(upxstr);
if (upxvar < 0)
error->all("Variable name for dump image center does not exist");
error->all(FLERR,"Variable name for dump image center does not exist");
if (!input->variable->equalstyle(upxvar))
error->all("Variable for dump image center is invalid style");
error->all(FLERR,"Variable for dump image center is invalid style");
}
if (upystr) {
upyvar = input->variable->find(upystr);
if (upyvar < 0)
error->all("Variable name for dump image center does not exist");
error->all(FLERR,"Variable name for dump image center does not exist");
if (!input->variable->equalstyle(upyvar))
error->all("Variable for dump image center is invalid style");
error->all(FLERR,"Variable for dump image center is invalid style");
}
if (upzstr) {
upzvar = input->variable->find(upzstr);
if (upzvar < 0)
error->all("Variable name for dump image center does not exist");
error->all(FLERR,"Variable name for dump image center does not exist");
if (!input->variable->equalstyle(upzvar))
error->all("Variable for dump image center is invalid style");
error->all(FLERR,"Variable for dump image center is invalid style");
}
if (zoomstr) {
zoomvar = input->variable->find(zoomstr);
if (zoomvar < 0)
error->all("Variable name for dump image zoom does not exist");
error->all(FLERR,"Variable name for dump image zoom does not exist");
if (!input->variable->equalstyle(zoomvar))
error->all("Variable for dump image zoom is invalid style");
error->all(FLERR,"Variable for dump image zoom is invalid style");
}
if (perspstr) {
perspvar = input->variable->find(perspstr);
if (perspvar < 0)
error->all("Variable name for dump image persp does not exist");
error->all(FLERR,"Variable name for dump image persp does not exist");
if (!input->variable->equalstyle(perspvar))
error->all("Variable for dump image persp is invalid style");
error->all(FLERR,"Variable for dump image persp is invalid style");
}
// set up type -> element mapping
@ -533,7 +530,7 @@ void DumpImage::init_style()
for (int i = 1; i <= ntypes; i++) {
colorelement[i] = element2color(typenames[i]);
if (colorelement[i] == NULL)
error->all("Invalid dump image element name");
error->all(FLERR,"Invalid dump image element name");
}
}
@ -541,7 +538,7 @@ void DumpImage::init_style()
for (int i = 1; i <= ntypes; i++) {
diamelement[i] = element2diam(typenames[i]);
if (diamelement[i] == 0.0)
error->all("Invalid dump image element name");
error->all(FLERR,"Invalid dump image element name");
}
}
}
@ -678,7 +675,7 @@ void DumpImage::view_params()
if (thetastr) {
theta = input->variable->compute_equal(thetavar);
if (theta < 0.0 || theta > 180.0)
error->all("Invalid dump image theta value");
error->all(FLERR,"Invalid dump image theta value");
theta *= PI/180.0;
}
if (phistr) {
@ -702,9 +699,9 @@ void DumpImage::view_params()
box_bounds();
if (zoomstr) zoom = input->variable->compute_equal(zoomvar);
if (zoom <= 0.0) error->all("Invalid dump image zoom value");
if (zoom <= 0.0) error->all(FLERR,"Invalid dump image zoom value");
if (perspstr) persp = input->variable->compute_equal(perspvar);
if (persp < 0.0) error->all("Invalid dump image persp value");
if (persp < 0.0) error->all(FLERR,"Invalid dump image persp value");
double delx = 2.0*(boxxhi-boxxlo);
double dely = 2.0*(boxyhi-boxylo);
@ -735,7 +732,7 @@ void DumpImage::view_params()
MathExtra::norm3(camRight);
MathExtra::cross3(camDir,camRight,camUp);
if (camUp[0] == 0.0 && camUp[1] == 0.0 && camUp[2] == 0.0)
error->all("Invalid dump image up vector");
error->all(FLERR,"Invalid dump image up vector");
MathExtra::norm3(camUp);
// light directions in terms of -camDir = z
@ -832,7 +829,7 @@ void DumpImage::color_minmax()
else locurrent = mlovalue;
if (mhi == MAXVALUE) hicurrent = twoall[1];
else hicurrent = mhivalue;
if (locurrent > hicurrent) error->all("Invalid dump image color range");
if (locurrent > hicurrent) error->all(FLERR,"Invalid dump image color range");
if (mstyle == CONTINUOUS) {
if (mrange == ABSOLUTE) mentry[0].svalue = locurrent;
@ -1574,7 +1571,7 @@ int DumpImage::modify_param(int narg, char **arg)
if (n) return n;
if (strcmp(arg[0],"acolor") == 0) {
if (narg < 3) error->all("Illegal dump_modify command");
if (narg < 3) error->all(FLERR,"Illegal dump_modify command");
int nlo,nhi;
force->bounds(arg[1],atom->ntypes,nlo,nhi);
@ -1599,47 +1596,47 @@ int DumpImage::modify_param(int narg, char **arg)
for (int i = nlo; i <= nhi; i++) {
colortype[i] = color2rgb(ptrs[m%ncount]);
if (colortype[i] == NULL)
error->all("Invalid color in dump_modify command");
error->all(FLERR,"Invalid color in dump_modify command");
m++;
}
delete [] ptrs;
return 3;
} else if (strcmp(arg[0],"adiam") == 0) {
if (narg < 3) error->all("Illegal dump_modify command");
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]);
if (diam <= 0.0) error->all("Illegal dump_modify command");
if (diam <= 0.0) error->all(FLERR,"Illegal dump_modify command");
for (int i = nlo; i <= nhi; i++) diamtype[i] = diam;
return 3;
} else if (strcmp(arg[0],"amap") == 0) {
if (narg < 6) error->all("Illegal dump_modify command");
if (narg < 6) error->all(FLERR,"Illegal dump_modify command");
if (!islower(arg[1][0])) {
mlo = NUMERIC;
mlovalue = atof(arg[1]);
} else if (strcmp(arg[1],"min") == 0) mlo = MINVALUE;
else error->all("Illegal dump_modify command");
else error->all(FLERR,"Illegal dump_modify command");
if (!islower(arg[2][0])) {
mhi = NUMERIC;
mhivalue = atof(arg[2]);
} else if (strcmp(arg[2],"max") == 0) mhi = MAXVALUE;
else error->all("Illegal dump_modify command");
else error->all(FLERR,"Illegal dump_modify command");
if (mlo == NUMERIC && mhi == NUMERIC && mlovalue >= mhivalue)
error->all("Illega dump_modify command");
error->all(FLERR,"Illega dump_modify command");
if (strlen(arg[3]) != 2) error->all("Illegal dump_modify command");
if (strlen(arg[3]) != 2) error->all(FLERR,"Illegal dump_modify command");
if (arg[3][0] == 'c') mstyle = CONTINUOUS;
else if (arg[3][0] == 'd') mstyle = DISCRETE;
else if (arg[3][0] == 's') mstyle = SEQUENTIAL;
else error->all("Illegal dump_modify command");
else error->all(FLERR,"Illegal dump_modify command");
if (arg[3][1] == 'a') mrange = ABSOLUTE;
else if (arg[3][1] == 'f') mrange = FRACTIONAL;
else error->all("Illegal dump_modify command");
else error->all(FLERR,"Illegal dump_modify command");
if (mstyle == SEQUENTIAL) {
mbinsize = atof(arg[4]);
if (mbinsize <= 0.0) error->all("Illegal dump_modify command");
if (mbinsize <= 0.0) error->all(FLERR,"Illegal dump_modify command");
}
mbinsizeinv = 1.0/mbinsize;
@ -1648,61 +1645,61 @@ int DumpImage::modify_param(int narg, char **arg)
int n = 6;
for (int i = 0; i < nentry; i++) {
if (mstyle == CONTINUOUS) {
if (n+2 > narg) error->all("Illegal dump_modify command");
if (n+2 > narg) error->all(FLERR,"Illegal dump_modify command");
if (!islower(arg[n][0])) {
mentry[i].single = NUMERIC;
mentry[i].svalue = atof(arg[n]);
} else if (strcmp(arg[n],"min") == 0) mentry[i].single = MINVALUE;
else if (strcmp(arg[n],"max") == 0) mentry[i].single = MAXVALUE;
else error->all("Illegal dump_modify command");
else error->all(FLERR,"Illegal dump_modify command");
mentry[i].color = color2rgb(arg[n+1]);
n += 2;
} else if (mstyle == DISCRETE) {
if (n+3 > narg) error->all("Illegal dump_modify command");
if (n+3 > narg) error->all(FLERR,"Illegal dump_modify command");
if (!islower(arg[n][0])) {
mentry[i].lo = NUMERIC;
mentry[i].lvalue = atof(arg[n]);
} else if (strcmp(arg[n],"min") == 0) mentry[i].single = MINVALUE;
else if (strcmp(arg[n],"max") == 0) mentry[i].single = MAXVALUE;
else error->all("Illegal dump_modify command");
else error->all(FLERR,"Illegal dump_modify command");
if (!islower(arg[n+1][0])) {
mentry[i].hi = NUMERIC;
mentry[i].hvalue = atof(arg[n+1]);
} else if (strcmp(arg[n+1],"min") == 0) mentry[i].single = MINVALUE;
else if (strcmp(arg[n+1],"max") == 0) mentry[i].single = MAXVALUE;
else error->all("Illegal dump_modify command");
else error->all(FLERR,"Illegal dump_modify command");
mentry[i].color = color2rgb(arg[n+2]);
n += 3;
} else if (mstyle == SEQUENTIAL) {
if (n+1 > narg) error->all("Illegal dump_modify command");
if (n+1 > narg) error->all(FLERR,"Illegal dump_modify command");
mentry[i].color = color2rgb(arg[n]);
n += 1;
}
if (mentry[i].color == NULL)
error->all("Invalid color in dump_modify command");
error->all(FLERR,"Invalid color in dump_modify command");
}
if (mstyle == CONTINUOUS) {
if (nentry < 2) error->all("Invalid color map in dump_modify command");
if (nentry < 2) error->all(FLERR,"Invalid color map in dump_modify command");
if (mentry[0].single != MINVALUE || mentry[nentry-1].single != MAXVALUE)
error->all("Invalid color map in dump_modify command");
error->all(FLERR,"Invalid color map in dump_modify command");
for (int i = 2; i < nentry-1; i++)
if (mentry[i].svalue <= mentry[i-1].svalue)
error->all("Invalid color map in dump_modify command");
error->all(FLERR,"Invalid color map in dump_modify command");
} else if (mstyle == DISCRETE) {
if (nentry < 1) error->all("Invalid color map in dump_modify command");
if (nentry < 1) error->all(FLERR,"Invalid color map in dump_modify command");
if (mentry[nentry-1].lo != MINVALUE || mentry[nentry-1].hi != MAXVALUE)
error->all("Invalid color map in dump_modify command");
error->all(FLERR,"Invalid color map in dump_modify command");
} else if (mstyle == SEQUENTIAL) {
if (nentry < 1) error->all("Invalid color map in dump_modify command");
if (nentry < 1) error->all(FLERR,"Invalid color map in dump_modify command");
}
return n;
} else if (strcmp(arg[0],"bcolor") == 0) {
if (narg < 3) error->all("Illegal dump_modify command");
if (narg < 3) error->all(FLERR,"Illegal dump_modify command");
if (atom->nbondtypes == 0)
error->all("Dump modify bcolor not allowed with no bond types");
error->all(FLERR,"Dump modify bcolor not allowed with no bond types");
int nlo,nhi;
force->bounds(arg[1],atom->nbondtypes,nlo,nhi);
@ -1727,7 +1724,7 @@ int DumpImage::modify_param(int narg, char **arg)
for (int i = nlo; i <= nhi; i++) {
bcolortype[i] = color2rgb(ptrs[m%ncount]);
if (bcolortype[i] == NULL)
error->all("Invalid color in dump_modify command");
error->all(FLERR,"Invalid color in dump_modify command");
m++;
}
@ -1735,33 +1732,33 @@ int DumpImage::modify_param(int narg, char **arg)
return 3;
} else if (strcmp(arg[0],"bdiam") == 0) {
if (narg < 3) error->all("Illegal dump_modify command");
if (narg < 3) error->all(FLERR,"Illegal dump_modify command");
if (atom->nbondtypes == 0)
error->all("Dump modify bdiam not allowed with no bond types");
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]);
if (diam <= 0.0) error->all("Illegal dump_modify command");
if (diam <= 0.0) error->all(FLERR,"Illegal dump_modify command");
for (int i = nlo; i <= nhi; i++) bdiamtype[i] = diam;
return 3;
} else if (strcmp(arg[0],"backcolor") == 0) {
if (narg < 2) error->all("Illegal dump_modify command");
if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
double *color = color2rgb(arg[1]);
if (color == NULL) error->all("Invalid color in dump_modify command");
if (color == NULL) error->all(FLERR,"Invalid color in dump_modify command");
background[0] = static_cast<int> (color[0]*255.0);
background[1] = static_cast<int> (color[1]*255.0);
background[2] = static_cast<int> (color[2]*255.0);
return 2;
} else if (strcmp(arg[0],"boxcolor") == 0) {
if (narg < 2) error->all("Illegal dump_modify command");
if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
boxcolor = color2rgb(arg[1]);
if (boxcolor == NULL) error->all("Invalid color in dump_modify command");
if (boxcolor == NULL) error->all(FLERR,"Invalid color in dump_modify command");
return 2;
} else if (strcmp(arg[0],"color") == 0) {
if (narg < 5) error->all("Illegal dump_modify command");
if (narg < 5) error->all(FLERR,"Illegal dump_modify command");
username = (char **)
memory->srealloc(username,(ncolors+1)*sizeof(char *),"dump:username");
memory->grow(userrgb,ncolors+1,3,"dump:userrgb");
@ -1774,7 +1771,7 @@ int DumpImage::modify_param(int narg, char **arg)
if (userrgb[ncolors][0] < 0.0 || userrgb[ncolors][0] > 1.0 ||
userrgb[ncolors][1] < 0.0 || userrgb[ncolors][1] > 1.0 ||
userrgb[ncolors][2] < 0.0 || userrgb[ncolors][2] > 1.0)
error->all("Illegal dump_modify command");
error->all(FLERR,"Illegal dump_modify command");
ncolors++;
return 5;
}