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Added logfreq2

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12852 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps
2014-12-22 22:42:09 +00:00
parent baccbaeda8
commit f6b81b0881
3 changed files with 121 additions and 25 deletions
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98
src/variable.cpp
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@ -60,8 +60,8 @@ enum{ARG,OP};
enum{DONE,ADD,SUBTRACT,MULTIPLY,DIVIDE,CARAT,MODULO,UNARY,
NOT,EQ,NE,LT,LE,GT,GE,AND,OR,
SQRT,EXP,LN,LOG,ABS,SIN,COS,TAN,ASIN,ACOS,ATAN,ATAN2,
RANDOM,NORMAL,CEIL,FLOOR,ROUND,RAMP,STAGGER,LOGFREQ,STRIDE,STRIDE2,
VDISPLACE,SWIGGLE,CWIGGLE,GMASK,RMASK,GRMASK,
RANDOM,NORMAL,CEIL,FLOOR,ROUND,RAMP,STAGGER,LOGFREQ,LOGFREQ2,
STRIDE,STRIDE2,VDISPLACE,SWIGGLE,CWIGGLE,GMASK,RMASK,GRMASK,
VALUE,ATOMARRAY,TYPEARRAY,INTARRAY,BIGINTARRAY};
// customize by adding a special function
@ -1758,7 +1758,7 @@ double Variable::evaluate(char *str, Tree **tree)
/* ----------------------------------------------------------------------
one-time collapse of an atom-style variable parse tree
tree was created by one-time parsing of formula string via evaulate()
tree was created by one-time parsing of formula string via evaluate()
only keep tree nodes that depend on
ATOMARRAY, TYPEARRAY, INTARRAY, BIGINTARRAY
remainder is converted to single VALUE
@ -1766,8 +1766,8 @@ double Variable::evaluate(char *str, Tree **tree)
customize by adding a function:
sqrt(),exp(),ln(),log(),abs(),sin(),cos(),tan(),asin(),acos(),atan(),
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
ramp(x,y),stagger(x,y),logfreq(x,y,z),stride(x,y,z),
vdisplace(x,y),swiggle(x,y,z),cwiggle(x,y,z),
ramp(x,y),stagger(x,y),logfreq(x,y,z),logfreq2(x,y,z),
stride(x,y,z),vdisplace(x,y),swiggle(x,y,z),cwiggle(x,y,z),
gmask(x),rmask(x),grmask(x,y)
---------------------------------------------------------------------- */
@ -2139,6 +2139,30 @@ double Variable::collapse_tree(Tree *tree)
return tree->value;
}
if (tree->type == LOGFREQ2) {
int ivalue1 = static_cast<int> (collapse_tree(tree->first));
int ivalue2 = static_cast<int> (collapse_tree(tree->second));
int ivalue3 = static_cast<int> (collapse_tree(tree->extra[0]));
if (tree->first->type != VALUE || tree->second->type != VALUE ||
tree->extra[0]->type != VALUE) return 0.0;
tree->type = VALUE;
if (ivalue1 <= 0 || ivalue2 <= 0 || ivalue3 <= 0 )
error->all(FLERR,"Invalid math function in variable formula");
if (update->ntimestep < ivalue1) tree->value = ivalue1;
else {
tree->value = ivalue1;
double delta = ivalue1*(ivalue3-1.0)/ivalue2;
int count = 0;
while (update->ntimestep >= tree->value) {
tree->value += delta;
count++;
if (count % ivalue2 == 0) delta *= ivalue3;
}
}
tree->value = ceil(tree->value);
return tree->value;
}
if (tree->type == STRIDE) {
int ivalue1 = static_cast<int> (collapse_tree(tree->first));
int ivalue2 = static_cast<int> (collapse_tree(tree->second));
@ -2252,9 +2276,9 @@ double Variable::collapse_tree(Tree *tree)
customize by adding a function:
sqrt(),exp(),ln(),log(),sin(),cos(),tan(),asin(),acos(),atan(),
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
ramp(x,y),stagger(x,y),logfreq(x,y,z),stride(x,y,z),
vdisplace(x,y),swiggle(x,y,z),cwiggle(x,y,z),
gmask(x),rmask(x),grmask(x,y)
ramp(x,y),stagger(x,y),logfreq(x,y,z),logfreq2(x,y,z),
stride(x,y,z),stride2(x,y,z),vdisplace(x,y),swiggle(x,y,z),
cwiggle(x,y,z),gmask(x),rmask(x),grmask(x,y)
---------------------------------------------------------------------- */
double Variable::eval_tree(Tree *tree, int i)
@ -2446,6 +2470,27 @@ double Variable::eval_tree(Tree *tree, int i)
return arg;
}
if (tree->type == LOGFREQ2) {
int ivalue1 = static_cast<int> (eval_tree(tree->first,i));
int ivalue2 = static_cast<int> (eval_tree(tree->second,i));
int ivalue3 = static_cast<int> (eval_tree(tree->extra[0],i));
if (ivalue1 <= 0 || ivalue2 <= 0 || ivalue3 <= 0 )
error->all(FLERR,"Invalid math function in variable formula");
if (update->ntimestep < ivalue1) arg = ivalue1;
else {
arg = ivalue1;
double delta = ivalue1*(ivalue3-1.0)/ivalue2;
int count = 0;
while (update->ntimestep >= arg) {
arg += delta;
count++;
if (count % ivalue2 == 0) delta *= ivalue3;
}
}
arg = ceil(arg);
return arg;
}
if (tree->type == STRIDE) {
int ivalue1 = static_cast<int> (eval_tree(tree->first,i));
int ivalue2 = static_cast<int> (eval_tree(tree->second,i));
@ -2671,8 +2716,9 @@ tagint Variable::int_between_brackets(char *&ptr, int varallow)
customize by adding a math function:
sqrt(),exp(),ln(),log(),abs(),sin(),cos(),tan(),asin(),acos(),atan(),
atan2(y,x),random(x,y,z),normal(x,y,z),ceil(),floor(),round(),
ramp(x,y),stagger(x,y),logfreq(x,y,z),stride(x,y,z),stride2(x,y,z,a,b,c),
vdisplace(x,y),swiggle(x,y,z),cwiggle(x,y,z)
ramp(x,y),stagger(x,y),logfreq(x,y,z),logfreq2(x,y,z),
stride(x,y,z),stride2(x,y,z,a,b,c),vdisplace(x,y),swiggle(x,y,z),
cwiggle(x,y,z)
------------------------------------------------------------------------- */
int Variable::math_function(char *word, char *contents, Tree **tree,
@ -2691,9 +2737,10 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
strcmp(word,"normal") && strcmp(word,"ceil") &&
strcmp(word,"floor") && strcmp(word,"round") &&
strcmp(word,"ramp") && strcmp(word,"stagger") &&
strcmp(word,"logfreq") && strcmp(word,"stride") &&
strcmp(word,"stride2") && strcmp(word,"vdisplace") &&
strcmp(word,"swiggle") && strcmp(word,"cwiggle"))
strcmp(word,"logfreq") && strcmp(word,"logfreq2") &&
strcmp(word,"stride") && strcmp(word,"stride2") &&
strcmp(word,"vdisplace") && strcmp(word,"swiggle") &&
strcmp(word,"cwiggle"))
return 0;
// parse contents for comma-separated args
@ -2924,6 +2971,31 @@ int Variable::math_function(char *word, char *contents, Tree **tree,
argstack[nargstack++] = value;
}
} else if (strcmp(word,"logfreq2") == 0) {
if (narg != 3)
error->all(FLERR,"Invalid math function in variable formula");
if (tree) newtree->type = LOGFREQ2;
else {
int ivalue1 = static_cast<int> (value1);
int ivalue2 = static_cast<int> (value2);
int ivalue3 = static_cast<int> (values[0]);
if (ivalue1 <= 0 || ivalue2 <= 0 || ivalue3 <= 0 )
error->all(FLERR,"Invalid math function in variable formula");
double value;
if (update->ntimestep < ivalue1) value = ivalue1;
else {
value = ivalue1;
double delta = ivalue1*(ivalue3-1.0)/ivalue2;
int count = 0;
while (update->ntimestep >= value) {
value += delta;
count++;
if (count % ivalue2 == 0) delta *= ivalue3;
}
}
argstack[nargstack++] = ceil(value);
}
} else if (strcmp(word,"stride") == 0) {
if (narg != 3)
error->all(FLERR,"Invalid math function in variable formula");