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update argument parsing

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This commit is contained in:
Axel Kohlmeyer
2021-08-18 14:35:02 -04:00
parent 1e37d1ad7f
commit 0a99d338f2
1 changed files with 25 additions and 20 deletions
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45
src/fix_property_atom.cpp
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@ -112,24 +112,29 @@ FixPropertyAtom::FixPropertyAtom(LAMMPS *lmp, int narg, char **arg) :
iarg++;
// custom atom array
// OLDSTYLE code
} else if (strstr(arg[iarg],"i2_") == arg[iarg] ||
strstr(arg[iarg],"d2_") == arg[iarg]) {
} else if (utils::strmatch(arg[iarg],"^[id]2_")) {
if (iarg+2 > narg) error->all(FLERR,"Illegal fix property/atom command");
int which = 0;
if (arg[iarg][0] == 'd') which = 1;
if (which == 0) style[nvalue] = IARRAY;
else style[nvalue] = DARRAY;
int flag,ncols;
index[nvalue] = atom->find_custom(&arg[iarg][3],flag,ncols);
if (index[nvalue] >= 0)
error->all(FLERR,"Fix property/atom array name already exists");
cols[nvalue] = utils::inumeric(FLERR,arg[iarg+1],true,lmp);
if (cols[nvalue] < 1)
error->all(FLERR,"Invalid array columns in fix property/atom");
index[nvalue] = atom->add_custom(&arg[iarg][3],which,cols[nvalue]);
values_peratom += cols[nvalue];
int which,flag,ncols;
which = atom->find_custom(&arg[iarg][3],flag,ncols);
if (which >= 0)
error->all(FLERR,"Fix property/atom array name {} already exists", &arg[iarg][3]);
ncols = utils::inumeric(FLERR,arg[iarg+1],true,lmp);
if (ncols < 1)
error->all(FLERR,"Invalid array columns number {} in fix property/atom", ncols);
if (arg[iarg][0] == 'i') {
which = 0;
style[nvalue] = IARRAY;
} else {
which = 1;
style[nvalue] = DARRAY;
}
index[nvalue] = atom->add_custom(&arg[iarg][3],which,ncols);
cols[nvalue] = ncols;
values_peratom += ncols;
nvalue++;
iarg += 2;
@ -386,15 +391,15 @@ void FixPropertyAtom::write_data_section_pack(int /*mth*/, double **buf)
int **iarray = atom->iarray[index[nv]];
ncol = cols[nv];
for (i = 0; i < nlocal; i++)
for (k = 0; k < ncol; k++)
buf[i][icol+k] = ubuf(iarray[i][k]).d;
for (k = 0; k < ncol; k++)
buf[i][icol+k] = ubuf(iarray[i][k]).d;
icol += ncol;
} else if (style[nv] == DARRAY) {
double **darray = atom->darray[index[nv]];
ncol = cols[nv];
for (i = 0; i < nlocal; i++)
for (k = 0; k < ncol; k++)
buf[i][icol+k] = ubuf(darray[i][k]).d;
for (k = 0; k < ncol; k++)
buf[i][icol+k] = darray[i][k];
icol += ncol;
}
}