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Squashed version of Will's commits.

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This commit is contained in:
Sachith Dunatunga
2024-12-09 08:31:57 -08:00
parent cd16308d71
commit 00ebe9a3e8
30 changed files with 22983 additions and 30 deletions
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24
src/variable.cpp
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@ -77,7 +77,7 @@ 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,TERNARY,
RAMP,STAGGER,LOGFREQ,LOGFREQ2,LOGFREQ3,STRIDE,STRIDE2,
VDISPLACE,SWIGGLE,CWIGGLE,GMASK,RMASK,
VDISPLACE,SWIGGLE,CWIGGLE,SIGN,GMASK,RMASK,
GRMASK,IS_ACTIVE,IS_DEFINED,IS_AVAILABLE,IS_FILE,EXTRACT_SETTING,
VALUE,ATOMARRAY,TYPEARRAY,INTARRAY,BIGINTARRAY,VECTORARRAY};
@ -2575,7 +2575,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),ternary(x,y,z),
ramp(x,y),stagger(x,y),logfreq(x,y,z),logfreq2(x,y,z),
logfreq3(x,y,z),stride(x,y,z),stride2(x,y,z,a,b,c),vdisplace(x,y),swiggle(x,y,z),
cwiggle(x,y,z),gmask(x),rmask(x),grmask(x,y)
cwiggle(x,y,z),sign(x),gmask(x),rmask(x),grmask(x,y)
---------------------------------------------------------------------- */
double Variable::collapse_tree(Tree *tree)
@ -3125,6 +3125,14 @@ double Variable::collapse_tree(Tree *tree)
return tree->value;
}
if (tree->type == SIGN) {
arg1 = collapse_tree(tree->first);
if (tree->first->type != VALUE) return 0.0;
tree->type = VALUE;
tree->value = (arg1 >= 0.0) ? 1.0 : -1.0; // sign(arg1);
return tree->value;
}
// mask functions do not become a single collapsed value
if (tree->type == GMASK) return 0.0;
@ -3143,7 +3151,7 @@ double Variable::collapse_tree(Tree *tree)
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),ternary(x,y,z),
ramp(x,y),stagger(x,y),logfreq(x,y,z),logfreq2(x,y,z),
logfreq3(x,y,z),stride(x,y,z),stride2(x,y,z,a,b,c),vdisplace(x,y),
swiggle(x,y,z),cwiggle(x,y,z),gmask(x),rmask(x),grmask(x,y)
swiggle(x,y,z),cwiggle(x,y,z),sign(x),gmask(x),rmask(x),grmask(x,y)
---------------------------------------------------------------------- */
double Variable::eval_tree(Tree *tree, int i)
@ -3459,6 +3467,9 @@ double Variable::eval_tree(Tree *tree, int i)
return arg;
}
if (tree->type == SIGN)
return (eval_tree(tree->first,i) >= 0.0) ? 1.0 : -1.0; // sign(eval_tree(tree->first,i));
if (tree->type == GMASK) {
if (atom->mask[i] & tree->ivalue) return 1.0;
else return 0.0;
@ -3650,7 +3661,7 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
strcmp(word,"logfreq") != 0 && strcmp(word,"logfreq2") != 0 &&
strcmp(word,"logfreq3") != 0 && strcmp(word,"stride") != 0 &&
strcmp(word,"stride2") != 0 && strcmp(word,"vdisplace") != 0 &&
strcmp(word,"swiggle") != 0 && strcmp(word,"cwiggle") != 0)
strcmp(word,"swiggle") != 0 && strcmp(word,"cwiggle") != 0 && strcmp(word,"sign") != 0)
return 0;
// parse contents for comma-separated args
@ -4045,6 +4056,11 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
double value = value1 + value2*(1.0-cos(omega*delta*update->dt));
argstack[nargstack++] = value;
}
} else if (strcmp(word,"sign") == 0) {
if (narg != 1)
print_var_error(FLERR,"Invalid math function in variable formula",ivar);
if (tree) newtree->type = SIGN;
else argstack[nargstack++] = (value1 >= 0.0) ? 1.0 : -1.0; // sign(value1);
}
// delete stored args