From fdeead676d98b18e114c9063113384b8abb83fa5 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 6 Oct 2010 16:29:07 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4980 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/variable.cpp | 97 ++++++++++++++++++++++++++++++------------------ src/variable.h | 5 ++- 2 files changed, 64 insertions(+), 38 deletions(-) diff --git a/src/variable.cpp b/src/variable.cpp index 73bd469870..cfc41d9878 100644 --- a/src/variable.cpp +++ b/src/variable.cpp @@ -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"); } diff --git a/src/variable.h b/src/variable.h index 963fca5609..ae5e5dbc40 100644 --- a/src/variable.h +++ b/src/variable.h @@ -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