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Merge branch 'develop' into variable-custom-atom-properties

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This commit is contained in:
Axel Kohlmeyer
2023-11-25 06:42:38 -05:00
parent 09acf1b409 4380806a30
commit e3ba19c145
513 changed files with 41754 additions and 15794 deletions
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58
src/variable.cpp
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@ -65,8 +65,9 @@ enum{ARG,OP};
enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,MODULO,UNARY,
NOT,EQ,NE,LT,LE,GT,GE,AND,OR,XOR,
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,
RANDOM,NORMAL,CEIL,FLOOR,ROUND,TERNARY,
RAMP,STAGGER,LOGFREQ,LOGFREQ2,LOGFREQ3,STRIDE,STRIDE2,
VDISPLACE,SWIGGLE,CWIGGLE,GMASK,RMASK,
GRMASK,IS_ACTIVE,IS_DEFINED,IS_AVAILABLE,IS_FILE,EXTRACT_SETTING,
VALUE,ATOMARRAY,TYPEARRAY,INTARRAY,BIGINTARRAY,VECTORARRAY};
@ -2498,9 +2499,9 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
this enables optimal eval_tree loop over atoms
customize by adding a function:
sqrt(),exp(),ln(),log(),abs(),sin(),cos(),tan(),asin(),acos(),atan(),
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
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),vdisplace(x,y),swiggle(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)
---------------------------------------------------------------------- */
@ -2839,6 +2840,17 @@ double Variable::collapse_tree(Tree *tree)
return tree->value;
}
if (tree->type == TERNARY) {
arg1 = collapse_tree(tree->first);
arg2 = collapse_tree(tree->second);
arg3 = collapse_tree(tree->extra[0]);
if (tree->first->type != VALUE) return 0.0;
tree->type = VALUE;
if (arg1) tree->value = arg2;
else tree->value = arg3;
return tree->value;
}
if (tree->type == RAMP) {
arg1 = collapse_tree(tree->first);
arg2 = collapse_tree(tree->second);
@ -3055,9 +3067,9 @@ double Variable::collapse_tree(Tree *tree)
tree was created by one-time parsing of formula string via evaluate()
customize by adding a function:
sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan(),
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
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),vdisplace(x,y),
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)
---------------------------------------------------------------------- */
@ -3220,6 +3232,14 @@ double Variable::eval_tree(Tree *tree, int i)
if (tree->type == ROUND)
return MYROUND(eval_tree(tree->first,i));
if (tree->type == TERNARY) {
double first = eval_tree(tree->first,i);
double second = eval_tree(tree->second,i);
double third = eval_tree(tree->extra[0],i);
if (first) return second;
else return third;
}
if (tree->type == RAMP) {
arg1 = eval_tree(tree->first,i);
arg2 = eval_tree(tree->second,i);
@ -3534,7 +3554,7 @@ tagint Variable::int_between_brackets(char *&ptr, int varallow)
return 0 if not a match, 1 if successfully processed
customize by adding a math function:
sqrt(),exp(),ln(),log(),abs(),sin(),cos(),tan(),asin(),acos(),atan(),
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),ternary(),
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)
@ -3545,15 +3565,12 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
{
// word not a match to any math function
if (strcmp(word,"sqrt") != 0 && strcmp(word,"exp") &&
strcmp(word,"ln") != 0 && strcmp(word,"log") != 0 &&
strcmp(word,"abs") != 0 &&
strcmp(word,"sin") != 0 && strcmp(word,"cos") != 0 &&
strcmp(word,"tan") != 0 && strcmp(word,"asin") != 0 &&
strcmp(word,"acos") != 0 && strcmp(word,"atan") != 0 &&
strcmp(word,"atan2") != 0 && strcmp(word,"random") != 0 &&
strcmp(word,"normal") != 0 && strcmp(word,"ceil") != 0 &&
strcmp(word,"floor") != 0 && strcmp(word,"round") != 0 &&
if (strcmp(word,"sqrt") != 0 && strcmp(word,"exp") && strcmp(word,"ln") != 0 &&
strcmp(word,"log") != 0 && strcmp(word,"abs") != 0 && strcmp(word,"sin") != 0 &&
strcmp(word,"cos") != 0 && strcmp(word,"tan") != 0 && strcmp(word,"asin") != 0 &&
strcmp(word,"acos") != 0 && strcmp(word,"atan") != 0 && strcmp(word,"atan2") != 0 &&
strcmp(word,"random") != 0 && strcmp(word,"normal") != 0 && strcmp(word,"ceil") != 0 &&
strcmp(word,"floor") != 0 && strcmp(word,"round") != 0 && strcmp(word,"ternary") != 0 &&
strcmp(word,"ramp") != 0 && strcmp(word,"stagger") != 0 &&
strcmp(word,"logfreq") != 0 && strcmp(word,"logfreq2") != 0 &&
strcmp(word,"logfreq3") != 0 && strcmp(word,"stride") != 0 &&
@ -3735,6 +3752,15 @@ int Variable::math_function(char *word, char *contents, Tree **tree, Tree **tree
if (tree) newtree->type = ROUND;
else argstack[nargstack++] = MYROUND(value1);
} else if (strcmp(word,"ternary") == 0) {
if (narg != 3)
print_var_error(FLERR,"Invalid math function in variable formula",ivar);
if (tree) newtree->type = TERNARY;
else {
if (value1) argstack[nargstack++] = value2;
else argstack[nargstack++] = values[0];
}
} else if (strcmp(word,"ramp") == 0) {
if (narg != 2)
print_var_error(FLERR,"Invalid math function in variable formula",ivar);