(a9e896ee) · Commits · 郑智淋 / lammps

src/variable.cpp

+23 −4

Original line number	Diff line number	Diff line
		@@ -38,7 +38,7 @@ using namespace LAMMPS_NS;
		enum{INDEX,LOOP,EQUAL,WORLD,UNIVERSE,ULOOP,ATOM};
		enum{ARG,OP};
		enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,UNARY,
		SQRT,EXP,LN,VALUE,ATOMARRAY,TYPEARRAY};
		SQRT,EXP,LN,CEIL,FLOOR,ROUND,VALUE,ATOMARRAY,TYPEARRAY};

		#define INVOKED_SCALAR 1 // same as in computes
		#define INVOKED_VECTOR 2
		@@ -1100,6 +1100,7 @@ double Variable::eval_tree(Tree *tree, int i)
		}
		if (tree->type == UNARY)
		return -eval_tree(tree->left,i);

		if (tree->type == SQRT) {
		double arg = eval_tree(tree->left,i);
		if (arg < 0.0) error->all("Sqrt of negative in variable formula");
		@@ -1112,6 +1113,12 @@ double Variable::eval_tree(Tree *tree, int i)
		if (arg <= 0.0) error->all("Log of zero/negative in variable formula");
		return log(arg);
		}
		if (tree->type == CEIL)
		return ceil(eval_tree(tree->left,i));
		if (tree->type == FLOOR)
		return floor(eval_tree(tree->left,i));
		if (tree->type == ROUND)
		return round(eval_tree(tree->left,i));

		return 0.0;
		}
		@@ -1204,7 +1211,8 @@ int Variable::math_function(char word, char contents, Tree **tree,
		{
		// word not a match to any math function

		if (strcmp(word,"sqrt") && strcmp(word,"exp") && strcmp(word,"ln"))
		if (strcmp(word,"sqrt") && strcmp(word,"exp") && strcmp(word,"ln") &&
		strcmp(word,"ceil") && strcmp(word,"floor") && strcmp(word,"round"))
		return 0;

		Tree *newtree;
		@@ -1236,12 +1244,23 @@ int Variable::math_function(char word, char contents, Tree **tree,
		if (value <= 0.0) error->all("Log of zero/negative in variable formula");
		argstack[nargstack++] = log(value);
		}

		} else if (strcmp(word,"ceil") == 0) {
		if (tree) newtree->type = CEIL;
		else argstack[nargstack++] = ceil(value);

		} else if (strcmp(word,"floor") == 0) {
		if (tree) newtree->type = FLOOR;
		else argstack[nargstack++] = floor(value);

		} else if (strcmp(word,"round") == 0) {
		if (tree) newtree->type = ROUND;
		else argstack[nargstack++] = round(value);
		}

		return 1;
		}


		/* ----------------------------------------------------------------------
		process a group function in formula
		push result onto tree or arg stack

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