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implement suggestions made by @rbberger

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This commit is contained in:
Axel Kohlmeyer
2024-05-25 05:00:08 -04:00
parent 371ec2036f
commit 3bc367e0b0
1 changed files with 17 additions and 23 deletions
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40
src/variable.cpp
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@ -46,7 +46,6 @@
#include <cstring>
#include <functional>
#include <unordered_map>
#include <unordered_set>
using namespace LAMMPS_NS;
using namespace MathConst;
@ -82,7 +81,7 @@ enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,MODULO,UNARY,
// customize by adding a special function
enum{SUM,XMIN,XMAX,AVE,TRAP,SLOPE,SORT,RSORT};
enum{SUM,XMIN,XMAX,AVE,TRAP,SLOPE,SORT,RSORT,NOVECTOR};
static constexpr double BIG = 1.0e20;
@ -4270,18 +4269,23 @@ Region *Variable::region_function(char *id, int ivar)
extract_setting(x),label2type(x,y),is_typelabel(x,y)
------------------------------------------------------------------------- */
int Variable::special_function(const std::string &word, char *contents, Tree **tree, Tree **treestack,
int &ntreestack, double *argstack, int &nargstack, int ivar, char *str, int &istr, char *&ptr)
// to simplify finding matches and assigning constants for functions operating on vectors
static const std::unordered_map<std::string,int> special_function_map = {
{"sum", SUM}, {"min", XMIN}, {"max", XMAX}, {"ave", AVE}, {"trap", TRAP}, {"slope", SLOPE},
{"sort", SORT}, {"rsort", RSORT}, {"gmask", NOVECTOR}, {"rmask", NOVECTOR}, {"grmask", NOVECTOR},
{"next", NOVECTOR}, {"is_file", NOVECTOR}, {"is_os", NOVECTOR}, {"extract_setting", NOVECTOR},
{"label2type", NOVECTOR}, {"is_typelabel", NOVECTOR} };
int Variable::special_function(const std::string &word, char *contents, Tree **tree,
Tree **treestack, int &ntreestack, double *argstack,
int &nargstack, int ivar, char *str, int &istr, char *&ptr)
{
double sx,sxx;
double value,sy,sxy;
// word is not a match to any special function
std::unordered_set<std::string> functions = {
"sum", "min", "max", "ave", "trap", "slope", "sort", "rsort", "gmask", "rmask", "grmask",
"next", "is_file", "is_os", "extract_setting", "label2type", "is_typelabel" };
if (functions.find(word) == functions.end()) return 0;
// return if "word" is not a match to any special function
if (special_function_map.find(word) == special_function_map.end()) return 0;
// process label2type() separately b/c its label arg can have commas in it
@ -4346,20 +4350,10 @@ int Variable::special_function(const std::string &word, char *contents, Tree **t
char *args[MAXFUNCARG];
int narg = parse_args(contents,args);
// special functions that operate on global vectors
// special functions that operate on global vectors are NOT mapped to NOVECTOR
if ((word == "sum") || (word == "min") || (word == "max") || (word == "ave") ||
(word == "trap") || (word == "slope") || (word == "sort") || (word == "rsort")) {
int method = 0;
if (word == "sum") method = SUM;
else if (word == "min") method = XMIN;
else if (word == "max") method = XMAX;
else if (word == "ave") method = AVE;
else if (word == "trap") method = TRAP;
else if (word == "slope") method = SLOPE;
else if (word == "sort") method = SORT;
else if (word == "rsort") method = RSORT;
int method = special_function_map.find(word)->second;
if (method != NOVECTOR) {
if (narg != 1)
print_var_error(FLERR,fmt::format("Invalid special function {}() in variable formula", word),ivar);