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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4980 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-10-06 16:29:07 +00:00
parent 50af532aa8
commit fdeead676d
2 changed files with 64 additions and 38 deletions
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97
src/variable.cpp
View File

@ -66,7 +66,8 @@ Variable::Variable(LAMMPS *lmp) : Pointers(lmp)
names = NULL;
style = NULL;
num = NULL;
index = NULL;
which = NULL;
pad = NULL;
data = NULL;
precedence[DONE] = 0;
@ -93,7 +94,8 @@ Variable::~Variable()
memory->sfree(names);
memory->sfree(style);
memory->sfree(num);
memory->sfree(index);
memory->sfree(which);
memory->sfree(pad);
memory->sfree(data);
}
@ -114,7 +116,7 @@ void Variable::set(int narg, char **arg)
return;
// INDEX
// num = listed args, index = 1st value, data = copied args
// num = listed args, which = 1st value, data = copied args
} else if (strcmp(arg[1],"index") == 0) {
if (narg < 3) error->all("Illegal variable command");
@ -122,36 +124,46 @@ void Variable::set(int narg, char **arg)
if (nvar == maxvar) extend();
style[nvar] = INDEX;
num[nvar] = narg - 2;
index[nvar] = 0;
which[nvar] = 0;
data[nvar] = new char*[num[nvar]];
copy(num[nvar],&arg[2],data[nvar]);
// LOOP
// 1 arg: num = N, index = 1st value, data = single string
// 2 args: num = N2, index = N1, data = single string
// 1 arg + pad: num = N, which = 1st value, data = single string
// 2 args + pad: num = N2, which = N1, data = single string
} else if (strcmp(arg[1],"loop") == 0) {
if (narg < 3 || narg > 4) error->all("Illegal variable command");
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) extend();
style[nvar] = LOOP;
int nfirst,nlast;
if (narg == 3) {
if (narg == 3 || (narg == 4 && strcmp(arg[3],"pad") == 0)) {
nfirst = 1;
nlast = atoi(arg[2]);
if (nlast <= 0) error->all("Illegal variable command");
} else {
if (narg == 4 && strcmp(arg[3],"pad") == 0) {
char digits[12];
sprintf(digits,"%d",nlast);
pad[nvar] = strlen(digits);
} else pad[nvar] = 0;
} else if (narg == 4 || (narg == 5 && strcmp(arg[4],"pad") == 0)) {
nfirst = atoi(arg[2]);
nlast = atoi(arg[3]);
if (nfirst > nlast || nlast <= 0) error->all("Illegal variable command");
}
if (narg == 5 && strcmp(arg[4],"pad") == 0) {
char digits[12];
sprintf(digits,"%d",nlast);
pad[nvar] = strlen(digits);
} else pad[nvar] = 0;
} else error->all("Illegal variable command");
num[nvar] = nlast;
index[nvar] = nfirst-1;
which[nvar] = nfirst-1;
pad[nvar] = 0;
data[nvar] = new char*[1];
data[nvar][0] = NULL;
// WORLD
// num = listed args, index = partition this proc is in, data = copied args
// num = listed args, which = partition this proc is in, data = copied args
// error check that num = # of worlds in universe
} else if (strcmp(arg[1],"world") == 0) {
@ -162,14 +174,14 @@ void Variable::set(int narg, char **arg)
num[nvar] = narg - 2;
if (num[nvar] != universe->nworlds)
error->all("World variable count doesn't match # of partitions");
index[nvar] = universe->iworld;
which[nvar] = universe->iworld;
data[nvar] = new char*[num[nvar]];
copy(num[nvar],&arg[2],data[nvar]);
// UNIVERSE and ULOOP
// for UNIVERSE: num = listed args, data = copied args
// for ULOOP: num = N, data = single string
// index = partition this proc is in
// which = partition this proc is in
// universe proc 0 creates lock file
// error check that all other universe/uloop variables are same length
@ -182,19 +194,25 @@ void Variable::set(int narg, char **arg)
num[nvar] = narg - 2;
data[nvar] = new char*[num[nvar]];
copy(num[nvar],&arg[2],data[nvar]);
} else {
if (narg != 3) error->all("Illegal variable command");
} else if (strcmp(arg[1],"uloop") == 0) {
if (narg < 3 || narg > 4 || (narg == 4 && strcmp(arg[3],"pad") != 0))
error->all("Illegal variable command");
if (find(arg[0]) >= 0) return;
if (nvar == maxvar) extend();
style[nvar] = ULOOP;
num[nvar] = atoi(arg[2]);
data[nvar] = new char*[1];
data[nvar][0] = NULL;
if (narg == 4) {
char digits[12];
sprintf(digits,"%d",num[nvar]);
pad[nvar] = strlen(digits);
} else pad[nvar] = 0;
}
if (num[nvar] < universe->nworlds)
error->all("Universe/uloop variable count < # of partitions");
index[nvar] = universe->iworld;
which[nvar] = universe->iworld;
if (universe->me == 0) {
FILE *fp = fopen("tmp.lammps.variable","w");
@ -209,7 +227,7 @@ void Variable::set(int narg, char **arg)
// STRING
// remove pre-existing var if also style STRING (allows it to be reset)
// num = 1, index = 1st value
// num = 1, which = 1st value
// data = 1 value, string to eval
} else if (strcmp(arg[1],"string") == 0) {
@ -222,13 +240,13 @@ void Variable::set(int narg, char **arg)
if (nvar == maxvar) extend();
style[nvar] = STRING;
num[nvar] = 1;
index[nvar] = 0;
which[nvar] = 0;
data[nvar] = new char*[num[nvar]];
copy(1,&arg[2],data[nvar]);
// EQUAL
// remove pre-existing var if also style EQUAL (allows it to be reset)
// num = 2, index = 1st value
// num = 2, which = 1st value
// data = 2 values, 1st is string to eval, 2nd is filled on retrieval
} else if (strcmp(arg[1],"equal") == 0) {
@ -241,14 +259,14 @@ void Variable::set(int narg, char **arg)
if (nvar == maxvar) extend();
style[nvar] = EQUAL;
num[nvar] = 2;
index[nvar] = 0;
which[nvar] = 0;
data[nvar] = new char*[num[nvar]];
copy(1,&arg[2],data[nvar]);
data[nvar][1] = NULL;
// ATOM
// remove pre-existing var if also style ATOM (allows it to be reset)
// num = 1, index = 1st value
// num = 1, which = 1st value
// data = 1 value, string to eval
} else if (strcmp(arg[1],"atom") == 0) {
@ -261,7 +279,7 @@ void Variable::set(int narg, char **arg)
if (nvar == maxvar) extend();
style[nvar] = ATOM;
num[nvar] = 1;
index[nvar] = 0;
which[nvar] = 0;
data[nvar] = new char*[num[nvar]];
copy(1,&arg[2],data[nvar]);
@ -335,8 +353,8 @@ int Variable::next(int narg, char **arg)
if (istyle == INDEX || istyle == LOOP) {
for (int iarg = 0; iarg < narg; iarg++) {
ivar = find(arg[iarg]);
index[ivar]++;
if (index[ivar] >= num[ivar]) {
which[ivar]++;
if (which[ivar] >= num[ivar]) {
flag = 1;
remove(ivar);
}
@ -374,8 +392,8 @@ int Variable::next(int narg, char **arg)
for (int iarg = 0; iarg < narg; iarg++) {
ivar = find(arg[iarg]);
index[ivar] = nextindex;
if (index[ivar] >= num[ivar]) {
which[ivar] = nextindex;
if (which[ivar] >= num[ivar]) {
flag = 1;
remove(ivar);
}
@ -391,27 +409,31 @@ int Variable::next(int narg, char **arg)
if LOOP or ULOOP var, write int to data[0] and return ptr to string
if EQUAL var, evaluate variable and put result in str
if ATOM var, return NULL
return NULL if no variable or index is bad, caller must respond
return NULL if no variable or which is bad, caller must respond
------------------------------------------------------------------------- */
char *Variable::retrieve(char *name)
{
int ivar = find(name);
if (ivar == -1) return NULL;
if (index[ivar] >= num[ivar]) return NULL;
if (which[ivar] >= num[ivar]) return NULL;
char *str;
if (style[ivar] == INDEX || style[ivar] == WORLD ||
style[ivar] == UNIVERSE || style[ivar] == STRING) {
str = data[ivar][index[ivar]];
str = data[ivar][which[ivar]];
} else if (style[ivar] == LOOP || style[ivar] == ULOOP) {
char *value = new char[16];
sprintf(value,"%d",index[ivar]+1);
int n = strlen(value) + 1;
char result[16];
if (pad[ivar] == 0) sprintf(result,"%d",which[ivar]+1);
else {
char padstr[16];
sprintf(padstr,"%%0%dd",pad[ivar]);
sprintf(result,padstr,which[ivar]+1);
}
int n = strlen(result) + 1;
delete [] data[ivar][0];
data[ivar][0] = new char[n];
strcpy(data[ivar][0],value);
delete [] value;
strcpy(data[ivar][0],result);
str = data[ivar][0];
} else if (style[ivar] == EQUAL) {
char result[32];
@ -519,7 +541,7 @@ void Variable::remove(int n)
names[i-1] = names[i];
style[i-1] = style[i];
num[i-1] = num[i];
index[i-1] = index[i];
which[i-1] = which[i];
data[i-1] = data[i];
}
nvar--;
@ -536,7 +558,8 @@ void Variable::extend()
memory->srealloc(names,maxvar*sizeof(char *),"var:names");
style = (int *) memory->srealloc(style,maxvar*sizeof(int),"var:style");
num = (int *) memory->srealloc(num,maxvar*sizeof(int),"var:num");
index = (int *) memory->srealloc(index,maxvar*sizeof(int),"var:index");
which = (int *) memory->srealloc(which,maxvar*sizeof(int),"var:which");
pad = (int *) memory->srealloc(pad,maxvar*sizeof(int),"var:pad");
data = (char ***)
memory->srealloc(data,maxvar*sizeof(char **),"var:data");
}

5
src/variable.h
View File

@ -40,8 +40,11 @@ class Variable : protected Pointers {
char **names; // name of each variable
int *style; // style of each variable
int *num; // # of values for each variable
int *index; // next available value for each variable
int *which; // next available value for each variable
int *pad; // 1 = pad loop/uloop variables with 0s, 0 = no pad
char ***data; // str value of each variable's values
int precedence[15]; // precedence level of math operators
struct Tree { // parse tree for atom-style variables