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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4763 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-09-10 00:08:06 +00:00
parent e4181f37b6
commit 9169396f42
1 changed files with 15 additions and 9 deletions
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22
src/variable.cpp
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@ -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");