forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4980 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
50af532aa8
commit
fdeead676d
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@ -66,7 +66,8 @@ Variable::Variable(LAMMPS *lmp) : Pointers(lmp)
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names = NULL;
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style = NULL;
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num = NULL;
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index = NULL;
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which = NULL;
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pad = NULL;
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data = NULL;
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precedence[DONE] = 0;
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@ -93,7 +94,8 @@ Variable::~Variable()
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memory->sfree(names);
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memory->sfree(style);
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memory->sfree(num);
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memory->sfree(index);
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memory->sfree(which);
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memory->sfree(pad);
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memory->sfree(data);
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}
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@ -114,7 +116,7 @@ void Variable::set(int narg, char **arg)
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return;
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// INDEX
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// num = listed args, index = 1st value, data = copied args
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// num = listed args, which = 1st value, data = copied args
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} else if (strcmp(arg[1],"index") == 0) {
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if (narg < 3) error->all("Illegal variable command");
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@ -122,36 +124,46 @@ void Variable::set(int narg, char **arg)
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if (nvar == maxvar) extend();
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style[nvar] = INDEX;
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num[nvar] = narg - 2;
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index[nvar] = 0;
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which[nvar] = 0;
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data[nvar] = new char*[num[nvar]];
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copy(num[nvar],&arg[2],data[nvar]);
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// LOOP
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// 1 arg: num = N, index = 1st value, data = single string
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// 2 args: num = N2, index = N1, data = single string
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// 1 arg + pad: num = N, which = 1st value, data = single string
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// 2 args + pad: num = N2, which = N1, data = single string
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} else if (strcmp(arg[1],"loop") == 0) {
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if (narg < 3 || narg > 4) error->all("Illegal variable command");
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if (find(arg[0]) >= 0) return;
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if (nvar == maxvar) extend();
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style[nvar] = LOOP;
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int nfirst,nlast;
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if (narg == 3) {
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if (narg == 3 || (narg == 4 && strcmp(arg[3],"pad") == 0)) {
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nfirst = 1;
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nlast = atoi(arg[2]);
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if (nlast <= 0) error->all("Illegal variable command");
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} else {
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if (narg == 4 && strcmp(arg[3],"pad") == 0) {
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char digits[12];
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sprintf(digits,"%d",nlast);
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pad[nvar] = strlen(digits);
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} else pad[nvar] = 0;
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} else if (narg == 4 || (narg == 5 && strcmp(arg[4],"pad") == 0)) {
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nfirst = atoi(arg[2]);
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nlast = atoi(arg[3]);
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if (nfirst > nlast || nlast <= 0) error->all("Illegal variable command");
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}
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if (narg == 5 && strcmp(arg[4],"pad") == 0) {
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char digits[12];
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sprintf(digits,"%d",nlast);
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pad[nvar] = strlen(digits);
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} else pad[nvar] = 0;
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} else error->all("Illegal variable command");
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num[nvar] = nlast;
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index[nvar] = nfirst-1;
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which[nvar] = nfirst-1;
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pad[nvar] = 0;
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data[nvar] = new char*[1];
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data[nvar][0] = NULL;
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// WORLD
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// num = listed args, index = partition this proc is in, data = copied args
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// num = listed args, which = partition this proc is in, data = copied args
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// error check that num = # of worlds in universe
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} else if (strcmp(arg[1],"world") == 0) {
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@ -162,14 +174,14 @@ void Variable::set(int narg, char **arg)
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num[nvar] = narg - 2;
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if (num[nvar] != universe->nworlds)
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error->all("World variable count doesn't match # of partitions");
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index[nvar] = universe->iworld;
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which[nvar] = universe->iworld;
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data[nvar] = new char*[num[nvar]];
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copy(num[nvar],&arg[2],data[nvar]);
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// UNIVERSE and ULOOP
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// for UNIVERSE: num = listed args, data = copied args
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// for ULOOP: num = N, data = single string
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// index = partition this proc is in
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// which = partition this proc is in
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// universe proc 0 creates lock file
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// error check that all other universe/uloop variables are same length
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@ -182,19 +194,25 @@ void Variable::set(int narg, char **arg)
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num[nvar] = narg - 2;
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data[nvar] = new char*[num[nvar]];
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copy(num[nvar],&arg[2],data[nvar]);
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} else {
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if (narg != 3) error->all("Illegal variable command");
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} else if (strcmp(arg[1],"uloop") == 0) {
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if (narg < 3 || narg > 4 || (narg == 4 && strcmp(arg[3],"pad") != 0))
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error->all("Illegal variable command");
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if (find(arg[0]) >= 0) return;
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if (nvar == maxvar) extend();
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style[nvar] = ULOOP;
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num[nvar] = atoi(arg[2]);
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data[nvar] = new char*[1];
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data[nvar][0] = NULL;
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if (narg == 4) {
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char digits[12];
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sprintf(digits,"%d",num[nvar]);
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pad[nvar] = strlen(digits);
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} else pad[nvar] = 0;
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}
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if (num[nvar] < universe->nworlds)
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error->all("Universe/uloop variable count < # of partitions");
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index[nvar] = universe->iworld;
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which[nvar] = universe->iworld;
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if (universe->me == 0) {
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FILE *fp = fopen("tmp.lammps.variable","w");
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@ -209,7 +227,7 @@ void Variable::set(int narg, char **arg)
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// STRING
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// remove pre-existing var if also style STRING (allows it to be reset)
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// num = 1, index = 1st value
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// num = 1, which = 1st value
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// data = 1 value, string to eval
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} else if (strcmp(arg[1],"string") == 0) {
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@ -222,13 +240,13 @@ void Variable::set(int narg, char **arg)
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if (nvar == maxvar) extend();
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style[nvar] = STRING;
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num[nvar] = 1;
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index[nvar] = 0;
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which[nvar] = 0;
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data[nvar] = new char*[num[nvar]];
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copy(1,&arg[2],data[nvar]);
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// EQUAL
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// remove pre-existing var if also style EQUAL (allows it to be reset)
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// num = 2, index = 1st value
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// num = 2, which = 1st value
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// data = 2 values, 1st is string to eval, 2nd is filled on retrieval
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} else if (strcmp(arg[1],"equal") == 0) {
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@ -241,14 +259,14 @@ void Variable::set(int narg, char **arg)
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if (nvar == maxvar) extend();
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style[nvar] = EQUAL;
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num[nvar] = 2;
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index[nvar] = 0;
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which[nvar] = 0;
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data[nvar] = new char*[num[nvar]];
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copy(1,&arg[2],data[nvar]);
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data[nvar][1] = NULL;
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// ATOM
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// remove pre-existing var if also style ATOM (allows it to be reset)
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// num = 1, index = 1st value
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// num = 1, which = 1st value
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// data = 1 value, string to eval
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} else if (strcmp(arg[1],"atom") == 0) {
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@ -261,7 +279,7 @@ void Variable::set(int narg, char **arg)
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if (nvar == maxvar) extend();
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style[nvar] = ATOM;
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num[nvar] = 1;
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index[nvar] = 0;
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which[nvar] = 0;
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data[nvar] = new char*[num[nvar]];
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copy(1,&arg[2],data[nvar]);
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@ -335,8 +353,8 @@ int Variable::next(int narg, char **arg)
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if (istyle == INDEX || istyle == LOOP) {
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for (int iarg = 0; iarg < narg; iarg++) {
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ivar = find(arg[iarg]);
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index[ivar]++;
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if (index[ivar] >= num[ivar]) {
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which[ivar]++;
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if (which[ivar] >= num[ivar]) {
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flag = 1;
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remove(ivar);
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}
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@ -374,8 +392,8 @@ int Variable::next(int narg, char **arg)
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for (int iarg = 0; iarg < narg; iarg++) {
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ivar = find(arg[iarg]);
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index[ivar] = nextindex;
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if (index[ivar] >= num[ivar]) {
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which[ivar] = nextindex;
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if (which[ivar] >= num[ivar]) {
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flag = 1;
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remove(ivar);
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}
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@ -391,27 +409,31 @@ int Variable::next(int narg, char **arg)
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if LOOP or ULOOP var, write int to data[0] and return ptr to string
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if EQUAL var, evaluate variable and put result in str
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if ATOM var, return NULL
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return NULL if no variable or index is bad, caller must respond
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return NULL if no variable or which is bad, caller must respond
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------------------------------------------------------------------------- */
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char *Variable::retrieve(char *name)
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{
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int ivar = find(name);
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if (ivar == -1) return NULL;
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if (index[ivar] >= num[ivar]) return NULL;
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if (which[ivar] >= num[ivar]) return NULL;
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char *str;
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if (style[ivar] == INDEX || style[ivar] == WORLD ||
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style[ivar] == UNIVERSE || style[ivar] == STRING) {
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str = data[ivar][index[ivar]];
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str = data[ivar][which[ivar]];
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} else if (style[ivar] == LOOP || style[ivar] == ULOOP) {
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char *value = new char[16];
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sprintf(value,"%d",index[ivar]+1);
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int n = strlen(value) + 1;
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char result[16];
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if (pad[ivar] == 0) sprintf(result,"%d",which[ivar]+1);
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else {
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char padstr[16];
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sprintf(padstr,"%%0%dd",pad[ivar]);
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sprintf(result,padstr,which[ivar]+1);
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}
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int n = strlen(result) + 1;
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delete [] data[ivar][0];
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data[ivar][0] = new char[n];
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strcpy(data[ivar][0],value);
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delete [] value;
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strcpy(data[ivar][0],result);
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str = data[ivar][0];
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} else if (style[ivar] == EQUAL) {
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char result[32];
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@ -519,7 +541,7 @@ void Variable::remove(int n)
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names[i-1] = names[i];
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style[i-1] = style[i];
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num[i-1] = num[i];
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index[i-1] = index[i];
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which[i-1] = which[i];
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data[i-1] = data[i];
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}
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nvar--;
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@ -536,7 +558,8 @@ void Variable::extend()
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memory->srealloc(names,maxvar*sizeof(char *),"var:names");
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style = (int *) memory->srealloc(style,maxvar*sizeof(int),"var:style");
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num = (int *) memory->srealloc(num,maxvar*sizeof(int),"var:num");
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index = (int *) memory->srealloc(index,maxvar*sizeof(int),"var:index");
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which = (int *) memory->srealloc(which,maxvar*sizeof(int),"var:which");
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pad = (int *) memory->srealloc(pad,maxvar*sizeof(int),"var:pad");
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data = (char ***)
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memory->srealloc(data,maxvar*sizeof(char **),"var:data");
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}
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@ -40,8 +40,11 @@ class Variable : protected Pointers {
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char **names; // name of each variable
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int *style; // style of each variable
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int *num; // # of values for each variable
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int *index; // next available value for each variable
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int *which; // next available value for each variable
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int *pad; // 1 = pad loop/uloop variables with 0s, 0 = no pad
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char ***data; // str value of each variable's values
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int precedence[15]; // precedence level of math operators
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struct Tree { // parse tree for atom-style variables
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