ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

simplify code

Browse Source 
- use Tokenizer instead of ValueTokenizer since no value conversions are needed
- don't use fmt::format() when no string formatting is needed
This commit is contained in:
Axel Kohlmeyer
2021-03-18 12:12:30 -04:00
parent 199595c510
commit d5a1591cd1
1 changed files with 34 additions and 37 deletions
Download Patch File Download Diff File Expand all files Collapse all files

71
src/KIM/kim_query.cpp
View File

@ -119,38 +119,36 @@ void KimQuery::command(int narg, char **arg)
}
++arg;
--narg;
// The “list” is the default setting
// The "list" is the default setting
// the result is returned as a space-separated list of values in a variable
} else format_arg = "list";
std::string query_function{arg[1]};
std::string query_function(arg[1]);
if (query_function == "split" || query_function == "list" ||
query_function == "index") {
auto msg = fmt::format("Illegal 'kim query' command.\nThe '{}' keyword "
"can not be used after '{}'", query_function, format_arg);
error->all(FLERR, msg);
}
query_function == "index")
error->all(FLERR, fmt::format("Illegal 'kim query' command.\nThe '{}' "
"keyword can not be used after '{}'",
query_function, format_arg));
std::string model_name;
// check the query_args format (a series of keyword=value pairs)
for (int i = 2; i < narg; ++i) {
if (!utils::strmatch(arg[i], "[=][\\[].*[\\]]")) {
auto msg = fmt::format("Illegal query format.\nInput argument "
"of `{}` to 'kim query' is wrong. The query format is the "
"keyword=[value], where value is always an array of one or "
"more comma-separated items", arg[i]);
error->all(FLERR, msg);
}
if (!utils::strmatch(arg[i], "[=][\\[].*[\\]]"))
error->all(FLERR, fmt::format("Illegal query format.\nInput argument "
"of `{}` to 'kim query' is wrong. The "
"query format is the keyword=[value], "
"where value is always an array of one or "
"more comma-separated items", arg[i]));
}
if (query_function != "get_available_models") {
for (int i = 2; i < narg; ++i) {
// check if the model is specified as an argument
if (utils::strmatch(arg[i], "^model=")) {
ValueTokenizer values(arg[i], "=[]");
std::string key = values.next_string();
model_name = values.next_string();
Tokenizer values(arg[i], "=[]");
values.skip(1);
model_name = values.next();
break;
}
}
@ -161,12 +159,12 @@ void KimQuery::command(int narg, char **arg)
if (ifix >= 0) {
FixStoreKIM *fix_store = (FixStoreKIM *) modify->fix[ifix];
char *model_name_c = (char *) fix_store->getptr("model_name");
model_name = fmt::format("{}", model_name_c);
model_name = model_name_c;
} else {
auto msg = fmt::format("Illegal query format.\nMust use 'kim init' "
"before 'kim query' or must provide the model name after query "
"function with the format of 'model=[model_name]'");
error->all(FLERR, msg);
error->all(FLERR, "Illegal query format.\nMust use 'kim init' "
"before 'kim query' or must provide the model name "
"after query function with the format of "
"'model=[model_name]'");
}
}
}
@ -185,31 +183,30 @@ void KimQuery::command(int narg, char **arg)
error->all(FLERR, msg);
} else if (strcmp(value, "EMPTY") == 0) {
delete [] value;
error->all(FLERR, fmt::format("OpenKIM query returned no results"));
error->all(FLERR, "OpenKIM query returned no results");
}
input->write_echo("#=== BEGIN kim-query =================================="
"=======\n");
// trim list of models to those that are installed on the system
if (query_function == "get_available_models") {
ValueTokenizer vals(value, ", \"");
Tokenizer vals(value, ", \"");
std::string available;
std::string missing;
KIM_Collections * collections;
KIM_Collections *collections;
KIM_CollectionItemType typ;
if (KIM_Collections_Create(&collections)) {
delete [] value;
error->all(FLERR,
fmt::format("Unable to access KIM Collections to find Model"));
error->all(FLERR, "Unable to access KIM Collections to find Model");
}
auto logID = fmt::format("{}_Collections", comm->me);
KIM_Collections_SetLogID(collections, logID.c_str());
while (vals.has_next()) {
auto svalue = vals.next_string();
auto svalue = vals.next();
if (KIM_Collections_GetItemType(collections, svalue.c_str(), &typ))
missing += fmt::format("{}, ", svalue);
else
@ -220,34 +217,34 @@ void KimQuery::command(int narg, char **arg)
input->write_echo(
fmt::format("# Missing OpenKIM models: {}\n\n", missing));
if (available.empty())
error->all(FLERR,
fmt::format(
"There are no matching OpenKIM models installed on the system"));
if (available.empty()) {
delete [] value;
error->all(FLERR,"There are no matching OpenKIM models installed on the system");
}
// replace results with available
strcpy(value, available.c_str()); // available guaranteed to fit
};
ValueTokenizer values(value, ",");
Tokenizer values(value, ",");
if (format_arg == "split") {
int counter = 1;
while (values.has_next()) {
auto svalue = values.next_string();
auto svalue = values.next();
auto setcmd = fmt::format("{}_{} string {}", var_name, counter++, svalue);
input->variable->set(setcmd);
input->write_echo(fmt::format("variable {}\n", setcmd));
}
} else {
std::string setcmd;
auto svalue = utils::trim(values.next_string());
auto svalue = utils::trim(values.next());
if (format_arg == "list") {
setcmd = fmt::format("{} string \"", var_name);
setcmd += (svalue.front() == '"' && svalue.back() == '"')
? fmt::format("{}", svalue.substr(1, svalue.size() - 2))
: fmt::format("{}", svalue);
while (values.has_next()) {
svalue = utils::trim(values.next_string());
svalue = utils::trim(values.next());
setcmd += (svalue.front() == '"' && svalue.back() == '"')
? fmt::format(" {}", svalue.substr(1, svalue.size() - 2))
: fmt::format(" {}", svalue);
@ -257,7 +254,7 @@ void KimQuery::command(int narg, char **arg)
// format_arg == "index"
setcmd = fmt::format("{} index {}", var_name, svalue);
while (values.has_next()) {
svalue = values.next_string();
svalue = values.next();
setcmd += fmt::format(" {}", svalue);
}
}