update utils::expand_args() to it can handle gridIDs
This commit is contained in:
Axel Kohlmeyer
126
src/utils.cpp
126
src/utils.cpp
@ -628,11 +628,79 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
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std::string word(arg[iarg]);
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std::string word(arg[iarg]);
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expandflag = 0;
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expandflag = 0;
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// match compute, fix, or custom property array reference with a '*' wildcard
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// match grids
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// number range in the first pair of square brackets
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if (strmatch(word, "^[cfv]_\\w+\\[\\d*\\*\\d*\\]") ||
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if (strmatch(word, "^[cf]_\\w+:\\w+:\\w+\\[\\d*\\*\\d*\\]")) {
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strmatch(word, "^[id]2_\\w+\\[\\d*\\*\\d*\\]")) {
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auto gridid = utils::parse_gridid(FLERR, word, lmp->error);
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size_t first = gridid[2].find('[');
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size_t second = gridid[2].find(']', first + 1);
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id = gridid[2].substr(0, first);
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wc = gridid[2].substr(first + 1, second - first - 1);
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tail = gridid[2].substr(second + 1);
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// grids from compute
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if (gridid[0][0] == 'c') {
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auto compute = lmp->modify->get_compute_by_id(gridid[0].substr(2));
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if (compute && compute->pergrid_flag) {
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int dim = 0;
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int igrid = compute->get_grid_by_name(gridid[1], dim);
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if (igrid >= 0) {
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int ncol = 0;
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int idata = compute->get_griddata_by_name(igrid, id, ncol);
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nmax = ncol;
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expandflag = 1;
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}
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}
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// grids from fix
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} else if (gridid[0][0] == 'f') {
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auto fix = lmp->modify->get_fix_by_id(gridid[0].substr(2));
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if (fix && fix->pergrid_flag) {
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int dim = 0;
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int igrid = fix->get_grid_by_name(gridid[1], dim);
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if (igrid >= 0) {
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int ncol = 0;
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int idata = fix->get_griddata_by_name(igrid, id, ncol);
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nmax = ncol;
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expandflag = 1;
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}
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}
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}
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// expand wild card string to nlo/nhi numbers
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if (expandflag) {
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utils::bounds(file, line, wc, 1, nmax, nlo, nhi, lmp->error);
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if (newarg + nhi - nlo + 1 > maxarg) {
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maxarg += nhi - nlo + 1;
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earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg");
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}
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for (int index = nlo; index <= nhi; index++) {
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earg[newarg] =
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utils::strdup(fmt::format("{}:{}:{}[{}]{}", gridid[0], gridid[1], id, index, tail));
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newarg++;
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}
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}
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// match compute, fix, or custom property array reference with a '*' wildcard
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// number range in the first pair of square brackets
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} else if (strmatch(word, "^[cfv]_\\w+\\[\\d*\\*\\d*\\]") ||
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strmatch(word, "^[id]2_\\w+\\[\\d*\\*\\d*\\]")) {
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// split off the compute/fix/property ID, the wildcard and trailing text
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// split off the compute/fix/property ID, the wildcard and trailing text
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@ -726,30 +794,33 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
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}
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}
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}
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}
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}
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}
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// expansion will take place
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if (expandflag) {
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// expand wild card string to nlo/nhi numbers
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utils::bounds(file, line, wc, 1, nmax, nlo, nhi, lmp->error);
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if (newarg + nhi - nlo + 1 > maxarg) {
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maxarg += nhi - nlo + 1;
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earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg");
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}
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for (int index = nlo; index <= nhi; index++) {
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if (word[1] == '2')
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earg[newarg] = utils::strdup(fmt::format("{}2_{}[{}]{}", word[0], id, index, tail));
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else
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earg[newarg] = utils::strdup(fmt::format("{}_{}[{}]{}", word[0], id, index, tail));
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newarg++;
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}
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}
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}
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}
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// expansion will take place
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// no expansion: duplicate original string
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if (expandflag) {
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if (!expandflag) {
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// expand wild card string to nlo/nhi numbers
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utils::bounds(file, line, wc, 1, nmax, nlo, nhi, lmp->error);
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if (newarg + nhi - nlo + 1 > maxarg) {
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maxarg += nhi - nlo + 1;
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earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg");
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}
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for (int index = nlo; index <= nhi; index++) {
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if (word[1] == '2')
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earg[newarg] = utils::strdup(fmt::format("{}2_{}[{}]{}", word[0], id, index, tail));
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else
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earg[newarg] = utils::strdup(fmt::format("{}_{}[{}]{}", word[0], id, index, tail));
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newarg++;
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}
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} else {
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// no expansion: duplicate original string
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if (newarg == maxarg) {
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if (newarg == maxarg) {
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maxarg++;
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maxarg++;
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earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg");
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earg = (char **) lmp->memory->srealloc(earg, maxarg * sizeof(char *), "input:earg");
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@ -759,10 +830,7 @@ int utils::expand_args(const char *file, int line, int narg, char **arg, int mod
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}
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}
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}
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}
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//printf("NEWARG %d\n",newarg);
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// printf("NEWARG %d\n",newarg); for (int i = 0; i < newarg; i++) printf(" arg %d: %s\n",i,earg[i]);
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//for (int i = 0; i < newarg; i++)
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// printf(" arg %d: %s\n",i,earg[i]);
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return newarg;
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return newarg;
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}
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}
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12
src/utils.h
12
src/utils.h
@ -334,13 +334,15 @@ namespace utils {
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/*! Expand list of arguments when containing fix/compute wildcards
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/*! Expand list of arguments when containing fix/compute wildcards
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*
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*
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* This function searches the list of arguments in *arg* for strings
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* This function searches the list of arguments in *arg* for strings
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* of the kind c_ID[*] or f_ID[*] referring to computes or fixes.
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* of the kind c_ID[*], f_ID[*], v_ID[*], i2_ID[*], d2_ID[*], or
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* c_ID:gname:dname[*] referring to computes, fixes, vector style
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* variables, custom per-atom arrays, or grids, respectively.
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* Any such strings are replaced by one or more strings with the
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* Any such strings are replaced by one or more strings with the
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* '*' character replaced by the corresponding possible numbers as
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* '*' character replaced by the corresponding possible numbers as
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* determined from the fix or compute instance. Other strings are
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* determined from the fix, compute, variable, property, or grid instance.
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* just copied. If the *mode* parameter is set to 0, expand global
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* Unrecognized strings are just copied. If the *mode* parameter
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* vectors, but not global arrays; if it is set to 1, expand global
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* is set to 0, expand global vectors, but not global arrays; if it is
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* arrays (by column) but not global vectors.
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* set to 1, expand global arrays (by column) but not global vectors.
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*
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*
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* If any expansion happens, the earg list and all its
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* If any expansion happens, the earg list and all its
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* strings are new allocations and must be freed explicitly by the
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* strings are new allocations and must be freed explicitly by the
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