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correct utils::expand_args()

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This commit is contained in:
Axel Kohlmeyer
2021-08-18 18:04:44 -04:00
parent de61b3a547
commit 104fa4624e
1 changed files with 34 additions and 36 deletions
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70
src/utils.cpp
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@ -609,56 +609,54 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
expandflag = 1; expandflag = 1;
} }
} }
}
}
// only match custom array reference with a '*' wildcard // only match custom array reference with a '*' wildcard
// number range in the first pair of square brackets // number range in the first pair of square brackets
if ((word[0] == 'i') || (word[0] == 'd')) { } else if ((word[0] == 'i') || (word[0] == 'd')) {
int flag, cols; int flag, cols;
int icustom = lmp->atom->find_custom(id.c_str(), flag, cols); int icustom = lmp->atom->find_custom(id.c_str(), flag, cols);
if ((icustom >= 0) && (mode == 1) && (cols > 0)) { if ((icustom >= 0) && (mode == 1) && (cols > 0)) {
// check for custom per-atom array // check for custom per-atom array
if (((word[0] == 'i') && (flag == 0)) || ((word[0] == 'i') && (flag == 1))) { if (((word[0] == 'i') && (flag == 0)) || ((word[0] == 'd') && (flag == 1))) {
nmax = cols; nmax = cols;
expandflag = 1; expandflag = 1;
}
} }
} }
}
// expansion will take place // expansion will take place
if (expandflag) { if (expandflag) {
// expand wild card string to nlo/nhi numbers // expand wild card string to nlo/nhi numbers
utils::bounds(file, line, wc, 1, nmax, nlo, nhi, lmp->error); utils::bounds(file, line, wc, 1, nmax, nlo, nhi, lmp->error);
if (newarg + nhi - nlo + 1 > maxarg) { if (newarg + nhi - nlo + 1 > maxarg) {
maxarg += nhi - nlo + 1; maxarg += nhi - nlo + 1;
earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg"); earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg");
} }
for (int index = nlo; index <= nhi; index++) { for (int index = nlo; index <= nhi; index++) {
// assemble and duplicate expanded string // assemble and duplicate expanded string
if (word[1] == '2') if (word[1] == '2')
earg[newarg] = utils::strdup(fmt::format("{}2_{}[{}]{}", word[0], id, index, tail)); earg[newarg] = utils::strdup(fmt::format("{}2_{}[{}]{}", word[0], id, index, tail));
else else
earg[newarg] = utils::strdup(fmt::format("{}_{}[{}]{}", word[0], id, index, tail)); earg[newarg] = utils::strdup(fmt::format("{}_{}[{}]{}", word[0], id, index, tail));
newarg++;
}
} else {
// no expansion: duplicate original string
if (newarg == maxarg) {
maxarg++;
earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg");
}
earg[newarg] = utils::strdup(word);
newarg++; newarg++;
} }
} else {
// no expansion: duplicate original string
if (newarg == maxarg) {
maxarg++;
earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg");
}
earg[newarg] = utils::strdup(word);
newarg++;
} }
} }