(9169396f) · Commits · 郑智淋 / lammps

src/variable.cpp

+15 −9

Original line number	Diff line number	Diff line
		@@ -44,7 +44,7 @@ enum{INDEX,LOOP,WORLD,UNIVERSE,ULOOP,STRING,EQUAL,ATOM};
		enum{ARG,OP};
		enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,UNARY,
		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,ATAN2,
		CEIL,FLOOR,ROUND,
		VALUE,ATOMARRAY,TYPEARRAY,INTARRAY};
		enum{SUM,XMIN,XMAX,AVE,TRAP};
		@@ -563,7 +563,7 @@ void Variable::copy(int narg, char from, char to)
		math operation = (),-x,x+y,x-y,x*y,x/y,x^y,
		x==y,x!=y,x<y,x<=y,x>y,x>=y,
		sqrt(x),exp(x),ln(x),log(x),
		sin(x),cos(x),tan(x),asin(x),acos(x),atan(x)
		sin(x),cos(x),tan(x),asin(x),atan2(y,x),...
		group function = count(group), mass(group), xcm(group,x), ...
		atom value = x[i], y[i], vx[i], ...
		atom vector = x, y, vx, ...
		@@ -1319,8 +1319,8 @@ double Variable::evaluate(char str, Tree *tree)
		/* ----------------------------------------------------------------------
		process an evaulation tree
		customize by adding a math function:
		sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan()
		ceil(),floor(),round()
		sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan(),
		atan2(y,x),ceil(),floor(),round()
		---------------------------------------------------------------------- */

		double Variable::eval_tree(Tree *tree, int i)
		@@ -1425,6 +1425,8 @@ double Variable::eval_tree(Tree *tree, int i)
		}
		if (tree->type == ATAN)
		return atan(eval_tree(tree->left,i));
		if (tree->type == ATAN2)
		return atan2(eval_tree(tree->left,i),eval_tree(tree->right,i));

		if (tree->type == CEIL)
		return ceil(eval_tree(tree->left,i));
		@@ -1513,8 +1515,8 @@ int Variable::int_between_brackets(char *&ptr)
		contents = str between parentheses with one,two,three args
		return 0 if not a match, 1 if successfully processed
		customize by adding a math function in 2 places:
		sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan()
		ceil(),floor(),round()
		sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan(),
		atan2(y,x),ceil(),floor(),round()
		------------------------------------------------------------------------- */

		int Variable::math_function(char word, char contents, Tree **tree,
		@@ -1528,8 +1530,8 @@ int Variable::math_function(char word, char contents, Tree **tree,
		strcmp(word,"sin") && strcmp(word,"cos") &&
		strcmp(word,"tan") && strcmp(word,"asin") &&
		strcmp(word,"acos") && strcmp(word,"atan") &&
		strcmp(word,"ceil") && strcmp(word,"floor") &&
		strcmp(word,"round"))
		strcmp(word,"atan2") && strcmp(word,"ceil") &&
		strcmp(word,"floor") && strcmp(word,"round"))
		return 0;

		// parse contents for arg1,arg2,arg3 separated by commas
		@@ -1665,6 +1667,10 @@ int Variable::math_function(char word, char contents, Tree **tree,
		if (narg != 1) error->all("Invalid math function in variable formula");
		if (tree) newtree->type = ATAN;
		else argstack[nargstack++] = atan(value1);
		} else if (strcmp(word,"atan2") == 0) {
		if (narg != 2) error->all("Invalid math function in variable formula");
		if (tree) newtree->type = ATAN2;
		else argstack[nargstack++] = atan2(value1,value2);

		} else if (strcmp(word,"ceil") == 0) {
		if (narg != 1) error->all("Invalid math function in variable formula");

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