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add extract_setting special function to variable command

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This commit is contained in:
Axel Kohlmeyer
2022-03-28 08:00:29 -04:00
parent 4545954385
commit d7f95da8f3
2 changed files with 60 additions and 37 deletions
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28
src/variable.cpp
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@ -24,6 +24,7 @@
#include "group.h"
#include "info.h"
#include "input.h"
#include "library.h"
#include "lmppython.h"
#include "math_const.h"
#include "memory.h"
@ -63,7 +64,7 @@ enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,MODULO,UNARY,
SQRT,EXP,LN,LOG,ABS,SIN,COS,TAN,ASIN,ACOS,ATAN,ATAN2,
RANDOM,NORMAL,CEIL,FLOOR,ROUND,RAMP,STAGGER,LOGFREQ,LOGFREQ2,
LOGFREQ3,STRIDE,STRIDE2,VDISPLACE,SWIGGLE,CWIGGLE,GMASK,RMASK,
GRMASK,IS_ACTIVE,IS_DEFINED,IS_AVAILABLE,IS_FILE,
GRMASK,IS_ACTIVE,IS_DEFINED,IS_AVAILABLE,IS_FILE,EXTRACT_SETTING,
VALUE,ATOMARRAY,TYPEARRAY,INTARRAY,BIGINTARRAY,VECTORARRAY};
// customize by adding a special function
@ -3899,12 +3900,11 @@ int Variable::special_function(char *word, char *contents, Tree **tree, Tree **t
// word not a match to any special function
if (strcmp(word,"sum") && strcmp(word,"min") && strcmp(word,"max") &&
strcmp(word,"ave") && strcmp(word,"trap") && strcmp(word,"slope") &&
strcmp(word,"gmask") && strcmp(word,"rmask") &&
strcmp(word,"grmask") && strcmp(word,"next") &&
strcmp(word,"is_active") && strcmp(word,"is_defined") &&
strcmp(word,"is_available") && strcmp(word,"is_file"))
if (strcmp(word,"sum") && strcmp(word,"min") && strcmp(word,"max") && strcmp(word,"ave") &&
strcmp(word,"trap") && strcmp(word,"slope") && strcmp(word,"gmask") && strcmp(word,"rmask") &&
strcmp(word,"grmask") && strcmp(word,"next") && strcmp(word,"is_active") &&
strcmp(word,"is_defined") && strcmp(word,"is_available") && strcmp(word,"is_file") &&
strcmp(word,"extract_setting"))
return 0;
// parse contents for comma-separated args
@ -4295,6 +4295,20 @@ int Variable::special_function(char *word, char *contents, Tree **tree, Tree **t
// save value in tree or on argstack
if (tree) {
Tree *newtree = new Tree();
newtree->type = VALUE;
newtree->value = value;
treestack[ntreestack++] = newtree;
} else argstack[nargstack++] = value;
} else if (strcmp(word,"extract_setting") == 0) {
if (narg != 1) print_var_error(FLERR,"Invalid extract_setting() function in variable formula",ivar);
value = lammps_extract_setting(lmp, args[0]);
// save value in tree or on argstack
if (tree) {
Tree *newtree = new Tree();
newtree->type = VALUE;