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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9480 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-02-14 15:57:17 +00:00
parent 8f94aa8010
commit 180c732619
4 changed files with 167 additions and 128 deletions
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29
src/variable.cpp
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@ -47,8 +47,9 @@ enum{INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,FILEVAR,EQUAL,ATOM};
enum{ARG,OP};
// customize by adding a function
// if add before OR, also set precedence level and precedence length in *.h
enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,UNARY,
enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,MODULO,UNARY,
NOT,EQ,NE,LT,LE,GT,GE,AND,OR,
SQRT,EXP,LN,LOG,ABS,SIN,COS,TAN,ASIN,ACOS,ATAN,ATAN2,
RANDOM,NORMAL,CEIL,FLOOR,ROUND,RAMP,STAGGER,LOGFREQ,STRIDE,
@ -86,13 +87,15 @@ Variable::Variable(LAMMPS *lmp) : Pointers(lmp)
randomequal = NULL;
randomatom = NULL;
// customize by assigning a precedence level
precedence[DONE] = 0;
precedence[OR] = 1;
precedence[AND] = 2;
precedence[EQ] = precedence[NE] = 3;
precedence[LT] = precedence[LE] = precedence[GT] = precedence[GE] = 4;
precedence[ADD] = precedence[SUBTRACT] = 5;
precedence[MULTIPLY] = precedence[DIVIDE] = 6;
precedence[MULTIPLY] = precedence[DIVIDE] = precedence[MODULO] = 6;
precedence[CARAT] = 7;
precedence[UNARY] = precedence[NOT] = 8;
}
@ -1323,11 +1326,12 @@ double Variable::evaluate(char *str, Tree **tree)
// math operator, including end-of-string
// ----------------
} else if (strchr("+-*/^<>=!&|\0",onechar)) {
} else if (strchr("+-*/^<>=!&|%\0",onechar)) {
if (onechar == '+') op = ADD;
else if (onechar == '-') op = SUBTRACT;
else if (onechar == '*') op = MULTIPLY;
else if (onechar == '/') op = DIVIDE;
else if (onechar == '%') op = MODULO;
else if (onechar == '^') op = CARAT;
else if (onechar == '=') {
if (str[i+1] != '=')
@ -1411,6 +1415,10 @@ double Variable::evaluate(char *str, Tree **tree)
if (value2 == 0.0)
error->all(FLERR,"Divide by 0 in variable formula");
argstack[nargstack++] = value1 / value2;
} else if (opprevious == MODULO) {
if (value2 == 0.0)
error->all(FLERR,"Modulo 0 in variable formula");
argstack[nargstack++] = fmod(value1,value2);
} else if (opprevious == CARAT) {
if (value2 == 0.0)
error->all(FLERR,"Power by 0 in variable formula");
@ -1534,6 +1542,16 @@ double Variable::collapse_tree(Tree *tree)
return tree->value;
}
if (tree->type == MODULO) {
arg1 = collapse_tree(tree->left);
arg2 = collapse_tree(tree->right);
if (tree->left->type != VALUE || tree->right->type != VALUE) return 0.0;
tree->type = VALUE;
if (arg2 == 0.0) error->one(FLERR,"Modulo 0 in variable formula");
tree->value = fmod(arg1,arg2);
return tree->value;
}
if (tree->type == CARAT) {
arg1 = collapse_tree(tree->left);
arg2 = collapse_tree(tree->right);
@ -1943,6 +1961,11 @@ double Variable::eval_tree(Tree *tree, int i)
if (denom == 0.0) error->one(FLERR,"Divide by 0 in variable formula");
return eval_tree(tree->left,i) / denom;
}
if (tree->type == MODULO) {
double denom = eval_tree(tree->right,i);
if (denom == 0.0) error->one(FLERR,"Modulo 0 in variable formula");
return fmod(eval_tree(tree->left,i),denom);
}
if (tree->type == CARAT) {
double exponent = eval_tree(tree->right,i);
if (exponent == 0.0) error->one(FLERR,"Power by 0 in variable formula");