(d86416ae) · Commits · 郑智淋 / lammps

src/variable.cpp

+37 −9

Original line number	Diff line number	Diff line
		@@ -56,11 +56,11 @@ enum{INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,GETENV,
		enum{ARG,OP};

		// customize by adding a function
		// if add before OR,
		// if add before XOR:
		// also set precedence level in constructor and precedence length in *.h

		enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,MODULO,UNARY,
		NOT,EQ,NE,LT,LE,GT,GE,AND,OR,
		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,
		STRIDE,STRIDE2,VDISPLACE,SWIGGLE,CWIGGLE,GMASK,RMASK,GRMASK,
		@@ -103,7 +103,7 @@ Variable::Variable(LAMMPS *lmp) : Pointers(lmp)
		// customize by assigning a precedence level

		precedence[DONE] = 0;
		precedence[OR] = 1;
		precedence[OR] = precedence[XOR] = 1;
		precedence[AND] = 2;
		precedence[EQ] = precedence[NE] = 3;
		precedence[LT] = precedence[LE] = precedence[GT] = precedence[GE] = 4;
		@@ -2088,9 +2088,9 @@ double Variable::evaluate(char str, Tree *tree)
		op = AND;
		i++;
		} else if (onechar == '\|') {
		if (str[i+1] != '\|')
		error->all(FLERR,"Invalid syntax in variable formula");
		op = OR;
		if (str[i+1] == '\|') op = OR;
		else if (str[i+1] == '^') op = XOR;
		else error->all(FLERR,"Invalid syntax in variable formula");
		i++;
		} else op = DONE;

		@@ -2180,6 +2180,10 @@ double Variable::evaluate(char str, Tree *tree)
		} else if (opprevious == OR) {
		if (value1 != 0.0 \|\| value2 != 0.0) argstack[nargstack++] = 1.0;
		else argstack[nargstack++] = 0.0;
		} else if (opprevious == XOR) {
		if ((value1 == 0.0 && value2 != 0.0) \|\|
		(value1 != 0.0 && value2 == 0.0)) argstack[nargstack++] = 1.0;
		else argstack[nargstack++] = 0.0;
		}
		}
		}
		@@ -2390,6 +2394,17 @@ double Variable::collapse_tree(Tree *tree)
		return tree->value;
		}

		if (tree->type == XOR) {
		arg1 = collapse_tree(tree->first);
		arg2 = collapse_tree(tree->second);
		if (tree->first->type != VALUE \|\| tree->second->type != VALUE) return 0.0;
		tree->type = VALUE;
		if ((arg1 == 0.0 && arg2 != 0.0) \|\| (arg1 != 0.0 && arg2 == 0.0))
		tree->value = 1.0;
		else tree->value = 0.0;
		return tree->value;
		}

		if (tree->type == SQRT) {
		arg1 = collapse_tree(tree->first);
		if (tree->first->type != VALUE) return 0.0;
		@@ -2809,6 +2824,13 @@ double Variable::eval_tree(Tree *tree, int i)
		return 1.0;
		else return 0.0;
		}
		if (tree->type == XOR) {
		if ((eval_tree(tree->first,i) == 0.0 && eval_tree(tree->second,i) != 0.0)
		\|\|
		(eval_tree(tree->first,i) != 0.0 && eval_tree(tree->second,i) == 0.0))
		return 1.0;
		else return 0.0;
		}

		if (tree->type == SQRT) {
		arg1 = eval_tree(tree->first,i);
		@@ -4678,9 +4700,9 @@ double Variable::evaluate_boolean(char *str)
		op = AND;
		i++;
		} else if (onechar == '\|') {
		if (str[i+1] != '\|')
		error->all(FLERR,"Invalid Boolean syntax in if command");
		op = OR;
		if (str[i+1] == '\|') op = OR;
		else if (str[i+1] == '^') op = XOR;
		else error->all(FLERR,"Invalid Boolean syntax in if command");
		i++;
		} else op = DONE;

		@@ -4764,6 +4786,12 @@ double Variable::evaluate_boolean(char *str)
		if (flag2) error->all(FLERR,"Invalid Boolean syntax in if command");
		if (value1 != 0.0 \|\| value2 != 0.0) argstack[nargstack].value = 1.0;
		else argstack[nargstack].value = 0.0;
		} else if (opprevious == XOR) {
		if (flag2) error->all(FLERR,"Invalid Boolean syntax in if command");
		if ((value1 == 0.0 && value2 != 0.0) \|\|
		(value1 != 0.0 && value2 == 0.0))
		argstack[nargstack].value = 1.0;
		else argstack[nargstack].value = 0.0;
		}

		argstack[nargstack++].flag = 0;

src/variable.h

+2 −2

Original line number	Diff line number	Diff line
		@@ -78,8 +78,8 @@ class Variable : protected Pointers {
		class RanMars *randomequal; // random number generator for equal-style vars
		class RanMars *randomatom; // random number generator for atom-style vars

		int precedence[17]; // precedence level of math operators
		// set length to include up to OR in enum
		int precedence[18]; // precedence level of math operators
		// set length to include up to XOR in enum

		class Python *python; // ptr to embedded Python interpreter

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