ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4042 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2010-04-23 20:18:24 +00:00
parent 3cbeab2163
commit b420f5df30
2 changed files with 36 additions and 9 deletions
Download Patch File Download Diff File Expand all files Collapse all files

43
src/variable.cpp
View File

@ -40,7 +40,7 @@ using namespace LAMMPS_NS;
enum{INDEX,LOOP,EQUAL,WORLD,UNIVERSE,ULOOP,ATOM}; enum{INDEX,LOOP,EQUAL,WORLD,UNIVERSE,ULOOP,ATOM};
enum{ARG,OP}; enum{ARG,OP};
enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,UNARY, enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,UNARY,
EQ,NE,LT,LE,GT,GE, EQ,NE,LT,LE,GT,GE,AND,OR,
SQRT,EXP,LN,LOG,SIN,COS,TAN,ASIN,ACOS,ATAN, SQRT,EXP,LN,LOG,SIN,COS,TAN,ASIN,ACOS,ATAN,
CEIL,FLOOR,ROUND,VALUE,ATOMARRAY,TYPEARRAY,INTARRAY}; CEIL,FLOOR,ROUND,VALUE,ATOMARRAY,TYPEARRAY,INTARRAY};
@ -63,12 +63,14 @@ Variable::Variable(LAMMPS *lmp) : Pointers(lmp)
data = NULL; data = NULL;
precedence[DONE] = 0; precedence[DONE] = 0;
precedence[EQ] = precedence[NE] = 1; precedence[OR] = 1;
precedence[LT] = precedence[LE] = precedence[GT] = precedence[GE] = 2; precedence[AND] = 2;
precedence[ADD] = precedence[SUBTRACT] = 3; precedence[EQ] = precedence[NE] = 3;
precedence[MULTIPLY] = precedence[DIVIDE] = 4; precedence[LT] = precedence[LE] = precedence[GT] = precedence[GE] = 4;
precedence[CARAT] = 5; precedence[ADD] = precedence[SUBTRACT] = 5;
precedence[UNARY] = 6; precedence[MULTIPLY] = precedence[DIVIDE] = 6;
precedence[CARAT] = 7;
precedence[UNARY] = 8;
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
@ -1145,7 +1147,7 @@ double Variable::evaluate(char *str, Tree **tree)
// math operator, including end-of-string // math operator, including end-of-string
// ---------------- // ----------------
} else if (strchr("+-*/^<>=!\0",onechar)) { } else if (strchr("+-*/^<>=!&|\0",onechar)) {
if (onechar == '+') op = ADD; if (onechar == '+') op = ADD;
else if (onechar == '-') op = SUBTRACT; else if (onechar == '-') op = SUBTRACT;
else if (onechar == '*') op = MULTIPLY; else if (onechar == '*') op = MULTIPLY;
@ -1171,7 +1173,16 @@ double Variable::evaluate(char *str, Tree **tree)
op = GE; op = GE;
i++; i++;
} }
} else if (onechar == '&') {
if (str[i+1] != '&') error->all("Invalid syntax in variable formula");
op = AND;
i++;
} else if (onechar == '|') {
if (str[i+1] != '|') error->all("Invalid syntax in variable formula");
op = OR;
i++;
} else op = DONE; } else op = DONE;
i++; i++;
if (op == SUBTRACT && expect == ARG) { if (op == SUBTRACT && expect == ARG) {
@ -1236,6 +1247,12 @@ double Variable::evaluate(char *str, Tree **tree)
} else if (opprevious == GE) { } else if (opprevious == GE) {
if (value1 >= value2) argstack[nargstack++] = 1.0; if (value1 >= value2) argstack[nargstack++] = 1.0;
else argstack[nargstack++] = 0.0; else argstack[nargstack++] = 0.0;
} else if (opprevious == AND) {
if (value1 != 0.0 && value2 != 0.0) argstack[nargstack++] = 1.0;
else argstack[nargstack++] = 0.0;
} else if (opprevious == OR) {
if (value1 != 0.0 || value2 != 0.0) argstack[nargstack++] = 1.0;
else argstack[nargstack++] = 0.0;
} }
} }
} }
@ -1323,6 +1340,16 @@ double Variable::eval_tree(Tree *tree, int i)
if (eval_tree(tree->left,i) >= eval_tree(tree->right,i)) return 1.0; if (eval_tree(tree->left,i) >= eval_tree(tree->right,i)) return 1.0;
else return 0.0; else return 0.0;
} }
if (tree->type == AND) {
if (eval_tree(tree->left,i) != 0.0 && eval_tree(tree->right,i) != 0.0)
return 1.0;
else return 0.0;
}
if (tree->type == OR) {
if (eval_tree(tree->left,i) != 0.0 || eval_tree(tree->right,i) != 0.0)
return 1.0;
else return 0.0;
}
if (tree->type == SQRT) { if (tree->type == SQRT) {
double arg = eval_tree(tree->left,i); double arg = eval_tree(tree->left,i);

2
src/variable.h
View File

@ -42,7 +42,7 @@ class Variable : protected Pointers {
int *num; // # of values for each variable int *num; // # of values for each variable
int *index; // next available value for each variable int *index; // next available value for each variable
char ***data; // str value of each variable's values char ***data; // str value of each variable's values
int precedence[13]; // precedence level of math operators int precedence[15]; // precedence level of math operators
struct Tree { // parse tree for atom-style variables struct Tree { // parse tree for atom-style variables
double value; double value;