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use ArgInfo class to process references to custom vectors and arrays

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This commit is contained in:
Axel Kohlmeyer
2021-08-18 13:00:32 -04:00
parent 300fee0437
commit f9b32f0eef
1 changed files with 54 additions and 58 deletions
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112
src/set.cpp
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@ -14,6 +14,7 @@
#include "set.h"
#include "arg_info.h"
#include "atom.h"
#include "atom_vec.h"
#include "atom_vec_body.h"
@ -570,69 +571,64 @@ void Set::command(int narg, char **arg)
set(DPDTHETA);
iarg += 2;
// custom per-atom vector
} else {
} else if (utils::strmatch(arg[iarg],"^i_")) {
if (iarg+2 > narg) error->all(FLERR,"Illegal set command");
if (utils::strmatch(arg[iarg+1],"^v_")) varparse(arg[iarg+1],1);
else ivalue = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
int flag,cols;
index_custom = atom->find_custom(&arg[iarg][2],flag,cols);
if (index_custom < 0 || flag || cols)
error->all(FLERR,"Set command integer vector does not exist");
set(IVEC);
iarg += 2;
} else if (utils::strmatch(arg[iarg],"^d_")) {
if (iarg+2 > narg) error->all(FLERR,"Illegal set command");
if (utils::strmatch(arg[iarg+1],"^v_")) varparse(arg[iarg+1],1);
else dvalue = utils::numeric(FLERR,arg[iarg+1],false,lmp);
int flag,cols;
index_custom = atom->find_custom(&arg[iarg][2],flag,cols);
if (index_custom < 0 || flag || cols)
error->all(FLERR,"Set command floating point vector does not exist");
set(DVEC);
iarg += 2;
// custom per-atom array, must include bracketed index
// OLDSTYLE code
} else if (strstr(arg[iarg],"i2_") == arg[iarg] ||
strstr(arg[iarg],"d2_") == arg[iarg]) {
if (iarg+2 > narg) error->all(FLERR,"Illegal set command");
int which = 0;
if (arg[iarg][0] == 'd') which = 1;
if (strstr(arg[iarg+1],"v_") == arg[iarg+1]) varparse(arg[iarg+1],1);
else if (!which) ivalue = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
else dvalue = utils::numeric(FLERR,arg[iarg+1],false,lmp);
int n = strlen(arg[iarg]);
char *suffix = new char[n];
strcpy(suffix,&arg[iarg][3]);
char *ptr = strchr(suffix,'[');
if (ptr) {
if (suffix[strlen(suffix)-1] != ']')
error->all(FLERR,"Invalid attribute in set command");
icol_custom = atoi(ptr+1);
*ptr = '\0';
} else error->all(FLERR,"Set command per-atom custom array is not indexed");
// set custom per-atom vector or array or error out
int flag,cols;
index_custom = atom->find_custom(suffix,flag,cols);
delete [] suffix;
ArgInfo argi(arg[iarg],ArgInfo::DNAME|ArgInfo::INAME);
const char *pname = argi.get_name();
if (iarg+2 > narg) error->all(FLERR,"Illegal set command");
index_custom = atom->find_custom(argi.get_name(),flag,cols);
if (index_custom < 0) error->all(FLERR,"Custom property {} does not exist",pname);
if ((!which && (index_custom < 0 || flag || !cols)) ||
(which && (index_custom < 0 || !flag || !cols)))
error->all(FLERR,"Set command per-atom custom array does not exist");
if (icol_custom <= 0 || icol_custom > cols)
error->all(FLERR,"Set command per-atom custom array is accessed out-of-range");
switch (argi.get_type()) {
if (!which) set(IARRAY);
else set(DARRAY);
case ArgInfo::INAME:
if (utils::strmatch(arg[iarg+1],"^v_")) varparse(arg[iarg+1],1);
else ivalue = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
if (flag != 0) error->all(FLERR,"Custom property {} is not integer",pname);
if (argi.get_dim() == 0) {
if (cols > 0)
error->all(FLERR,"Set command custom integer property {} is not a vector",pname);
set(IVEC);
} else if (argi.get_dim() == 1) {
if (cols == 0)
error->all(FLERR,"Set command custom integer property {} is not an array",pname);
icol_custom = argi.get_index1();
if (icol_custom <= 0 || icol_custom > cols)
error->all(FLERR,"Set command per-atom custom integer array {} is accessed "
"out-of-range",pname);
set(IARRAY);
} else error->all(FLERR,"Illegal set command");
break;
case ArgInfo::DNAME:
if (utils::strmatch(arg[iarg+1],"^v_")) varparse(arg[iarg+1],1);
else dvalue = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (flag != 1) error->all(FLERR,"Custom property {} is not floating-point",argi.get_name());
if (argi.get_dim() == 0) {
if (cols > 0)
error->all(FLERR,"Set command custom floating-point property is not a vector");
set(DVEC);
} else if (argi.get_dim() == 1) {
if (cols == 0)
error->all(FLERR,"Set command custom floating-point property is not an array");
icol_custom = argi.get_index1();
if (icol_custom <= 0 || icol_custom > cols)
error->all(FLERR,"Set command per-atom custom integer array is accessed out-of-range");
set(DARRAY);
} else error->all(FLERR,"Illegal set command");
break;
default:
error->all(FLERR,"Illegal set command");
break;
}
iarg += 2;
} else error->all(FLERR,"Illegal set command");
}
// statistics
// for CC option, include species index
@ -1007,7 +1003,7 @@ void Set::set(int keyword)
(((imageint) (zbox + IMGMAX) & IMGMASK) << IMG2BITS);
}
// set value for custom vector or array
// set value for custom property vector or array
else if (keyword == IVEC) {
atom->ivector[index_custom][i] = ivalue;