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Merge branch 'develop' into collected-small-fixes

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Axel Kohlmeyer
2023-06-06 08:36:25 -04:00
parent 40cd3bbdc4 0978308f5e
commit 9cc6839a8b
55 changed files with 2442 additions and 256 deletions
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34
src/variable.cpp
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@ -4040,8 +4040,8 @@ Region *Variable::region_function(char *id, int ivar)
return 0 if not a match, 1 if successfully processed
customize by adding a special function:
sum(x),min(x),max(x),ave(x),trap(x),slope(x),
gmask(x),rmask(x),grmask(x,y),next(x),
is_file(x),is_ox(x),extract_setting(x),label2type(x,y)
gmask(x),rmask(x),grmask(x,y),next(x),is_file(x),is_ox(x),
extract_setting(x),label2type(x,y),is_typelabel(x,y)
------------------------------------------------------------------------- */
int Variable::special_function(char *word, char *contents, Tree **tree, Tree **treestack,
@ -4056,20 +4056,28 @@ int Variable::special_function(char *word, char *contents, Tree **tree, Tree **t
strcmp(word,"ave") != 0 && strcmp(word,"trap") != 0 && strcmp(word,"slope") != 0 &&
strcmp(word,"gmask") != 0 && strcmp(word,"rmask") != 0 && strcmp(word,"grmask") != 0 &&
strcmp(word,"next") != 0 && strcmp(word,"is_file") != 0 && strcmp(word,"is_os") != 0 &&
strcmp(word,"extract_setting") != 0 && strcmp(word,"label2type") != 0)
strcmp(word,"extract_setting") != 0 && strcmp(word,"label2type") != 0 &&
strcmp(word,"is_typelabel") != 0)
return 0;
// process label2type() separately b/c its label arg can have commas in it
if (strcmp(word,"label2type") == 0) {
if (strcmp(word,"label2type") == 0 || strcmp(word,"is_typelabel") == 0) {
if (!atom->labelmapflag)
print_var_error(FLERR,"Cannot use label2type() function without a labelmap",ivar);
print_var_error(FLERR,fmt::format("Cannot use {}() function without a labelmap",word),ivar);
std::string contents_copy(contents);
auto pos = contents_copy.find_first_of(',');
if (pos == std::string::npos)
print_var_error(FLERR, fmt::format("Invalid label2type({}) function in variable formula",
contents_copy), ivar);
if (pos == std::string::npos) {
if (strcmp(word,"label2type") == 0) {
print_var_error(FLERR, fmt::format("Invalid label2type({}) function in variable formula",
contents_copy), ivar);
} else {
print_var_error(FLERR, fmt::format("Invalid is_typelabel({}) function in variable formula",
contents_copy), ivar);
}
}
std::string typestr = contents_copy.substr(pos+1);
std::string kind = contents_copy.substr(0, pos);
@ -4085,12 +4093,14 @@ int Variable::special_function(char *word, char *contents, Tree **tree, Tree **t
} else if (kind == "improper") {
value = atom->lmap->find(typestr,Atom::IMPROPER);
} else {
print_var_error(FLERR, fmt::format("Invalid kind {} in label2type() in variable",kind),ivar);
print_var_error(FLERR, fmt::format("Invalid kind {} in {}() in variable", kind, word),ivar);
}
if (value == -1)
print_var_error(FLERR, fmt::format("Invalid {} type label {} in label2type() in variable",
kind, typestr), ivar);
if (strcmp(word,"label2type") == 0) {
if (value == -1)
print_var_error(FLERR, fmt::format("Invalid {} type label {} in label2type() in variable",
kind, typestr), ivar);
} else value = (value == -1) ? 0.0 : 1.0;
// save value in tree or on argstack