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not a bug but change variable evaluate local ivar to jvar to avoid code confusion

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This commit is contained in:
Steve Plimpton
2024-02-19 17:34:43 -07:00
parent d70a98561f
commit 7a5fa7ca54
1 changed files with 31 additions and 31 deletions
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62
src/variable.cpp
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@ -1977,12 +1977,12 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
} else if (strncmp(word,"v_",2) == 0) { } else if (strncmp(word,"v_",2) == 0) {
int ivar = find(word+2); int jvar = find(word+2);
if (ivar < 0) if (jvar < 0)
print_var_error(FLERR,fmt::format("Invalid variable reference {} in variable formula",word), print_var_error(FLERR,fmt::format("Invalid variable reference {} in variable formula",word),
ivar); jvar);
if (eval_in_progress[ivar]) if (eval_in_progress[jvar])
print_var_error(FLERR,"has a circular dependency",ivar); print_var_error(FLERR,"has a circular dependency",jvar);
// parse zero or one trailing brackets // parse zero or one trailing brackets
// point i beyond last bracket // point i beyond last bracket
@ -2006,9 +2006,9 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
// scalar from internal-style variable // scalar from internal-style variable
// access value directly // access value directly
if (style[ivar] == INTERNAL) { if (style[jvar] == INTERNAL) {
value1 = dvalue[ivar]; value1 = dvalue[jvar];
if (tree) { if (tree) {
auto newtree = new Tree(); auto newtree = new Tree();
newtree->type = VALUE; newtree->type = VALUE;
@ -2019,13 +2019,13 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
// scalar from any style variable except VECTOR, ATOM, ATOMFILE // scalar from any style variable except VECTOR, ATOM, ATOMFILE
// access value via retrieve() // access value via retrieve()
} else if (style[ivar] != ATOM && style[ivar] != ATOMFILE && style[ivar] != VECTOR) { } else if (style[jvar] != ATOM && style[jvar] != ATOMFILE && style[jvar] != VECTOR) {
char *var = retrieve(word+2); char *var = retrieve(word+2);
if (var == nullptr) if (var == nullptr)
print_var_error(FLERR,"Invalid variable evaluation in variable formula",ivar); print_var_error(FLERR,"Invalid variable evaluation in variable formula",jvar);
if (!utils::is_double(var)) if (!utils::is_double(var))
print_var_error(FLERR,"Non-numeric variable value in variable formula",ivar); print_var_error(FLERR,"Non-numeric variable value in variable formula",jvar);
if (tree) { if (tree) {
auto newtree = new Tree(); auto newtree = new Tree();
newtree->type = VALUE; newtree->type = VALUE;
@ -2036,15 +2036,15 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
// vector from vector-style variable // vector from vector-style variable
// evaluate the vector-style variable, put result in newtree // evaluate the vector-style variable, put result in newtree
} else if (style[ivar] == VECTOR) { } else if (style[jvar] == VECTOR) {
if (tree == nullptr) if (tree == nullptr)
print_var_error(FLERR,"Vector-style variable in equal-style variable formula",ivar); print_var_error(FLERR,"Vector-style variable in equal-style variable formula",jvar);
if (treetype == ATOM) if (treetype == ATOM)
print_var_error(FLERR,"Vector-style variable in atom-style variable formula",ivar); print_var_error(FLERR,"Vector-style variable in atom-style variable formula",jvar);
double *vec; double *vec;
int nvec = compute_vector(ivar,&vec); int nvec = compute_vector(jvar,&vec);
auto newtree = new Tree(); auto newtree = new Tree();
newtree->type = VECTORARRAY; newtree->type = VECTORARRAY;
@ -2056,36 +2056,36 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
// vector from atom-style variable // vector from atom-style variable
// evaluate the atom-style variable as newtree // evaluate the atom-style variable as newtree
} else if (style[ivar] == ATOM) { } else if (style[jvar] == ATOM) {
if (tree == nullptr) if (tree == nullptr)
print_var_error(FLERR,"Atom-style variable in equal-style variable formula",ivar); print_var_error(FLERR,"Atom-style variable in equal-style variable formula",jvar);
if (treetype == VECTOR) if (treetype == VECTOR)
print_var_error(FLERR,"Atom-style variable in vector-style variable formula",ivar); print_var_error(FLERR,"Atom-style variable in vector-style variable formula",jvar);
Tree *newtree = nullptr; Tree *newtree = nullptr;
evaluate(data[ivar][0],&newtree,ivar); evaluate(data[jvar][0],&newtree,jvar);
treestack[ntreestack++] = newtree; treestack[ntreestack++] = newtree;
// vector from atomfile-style variable // vector from atomfile-style variable
// point to the values in FixStore instance // point to the values in FixStore instance
} else if (style[ivar] == ATOMFILE) { } else if (style[jvar] == ATOMFILE) {
if (tree == nullptr) if (tree == nullptr)
print_var_error(FLERR,"Atomfile-style variable in equal-style variable formula",ivar); print_var_error(FLERR,"Atomfile-style variable in equal-style variable formula",jvar);
if (treetype == VECTOR) if (treetype == VECTOR)
print_var_error(FLERR,"Atomfile-style variable in vector-style variable formula",ivar); print_var_error(FLERR,"Atomfile-style variable in vector-style variable formula",jvar);
auto newtree = new Tree(); auto newtree = new Tree();
newtree->type = ATOMARRAY; newtree->type = ATOMARRAY;
newtree->array = reader[ivar]->fixstore->vstore; newtree->array = reader[jvar]->fixstore->vstore;
newtree->nstride = 1; newtree->nstride = 1;
treestack[ntreestack++] = newtree; treestack[ntreestack++] = newtree;
// no other possibilities for variable with no bracket // no other possibilities for variable with no bracket
} else print_var_error(FLERR,"Mismatched variable in variable formula",ivar); } else print_var_error(FLERR,"Mismatched variable in variable formula",jvar);
// vname[i] with one bracket // vname[i] with one bracket
@ -2094,12 +2094,12 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
// scalar from vector-style variable // scalar from vector-style variable
// compute the vector-style variable, extract single value // compute the vector-style variable, extract single value
if (style[ivar] == VECTOR) { if (style[jvar] == VECTOR) {
double *vec; double *vec;
int nvec = compute_vector(ivar,&vec); int nvec = compute_vector(jvar,&vec);
if (index <= 0 || index > nvec) if (index <= 0 || index > nvec)
print_var_error(FLERR,"Invalid index into vector-style variable",ivar); print_var_error(FLERR,"Invalid index into vector-style variable",jvar);
int m = index; // convert from tagint to int int m = index; // convert from tagint to int
if (tree) { if (tree) {
@ -2113,25 +2113,25 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
// compute the per-atom variable in result // compute the per-atom variable in result
// use peratom2global to extract single value from result // use peratom2global to extract single value from result
} else if (style[ivar] == ATOM) { } else if (style[jvar] == ATOM) {
double *result; double *result;
memory->create(result,atom->nlocal,"variable:result"); memory->create(result,atom->nlocal,"variable:result");
compute_atom(ivar,0,result,1,0); compute_atom(jvar,0,result,1,0);
peratom2global(1,nullptr,result,1,index,tree,treestack,ntreestack,argstack,nargstack); peratom2global(1,nullptr,result,1,index,tree,treestack,ntreestack,argstack,nargstack);
memory->destroy(result); memory->destroy(result);
// scalar from atomfile-style variable // scalar from atomfile-style variable
// use peratom2global to extract single value from FixStore instance // use peratom2global to extract single value from FixStore instance
} else if (style[ivar] == ATOMFILE) { } else if (style[jvar] == ATOMFILE) {
peratom2global(1,nullptr,reader[ivar]->fixstore->vstore,1,index, peratom2global(1,nullptr,reader[jvar]->fixstore->vstore,1,index,
tree,treestack,ntreestack,argstack,nargstack); tree,treestack,ntreestack,argstack,nargstack);
// no other possibilities for variable with one bracket // no other possibilities for variable with one bracket
} else print_var_error(FLERR,"Mismatched variable in variable formula",ivar); } else print_var_error(FLERR,"Mismatched variable in variable formula",jvar);
} }
// ---------------- // ----------------