ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

improve error messages for variables and python commands

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-09-23 19:02:55 -04:00
parent 2f8a5ddd1f
commit b350dce573
2 changed files with 16 additions and 13 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
src/PYTHON/python_impl.cpp
View File

@ -235,12 +235,14 @@ void PythonImpl::command(int narg, char **arg)
if (!pFunc) { if (!pFunc) {
PyGILState_Release(gstate); PyGILState_Release(gstate);
error->all(FLERR,"Could not find Python function"); error->all(FLERR,fmt::format("Could not find Python function {}",
pfuncs[ifunc].name));
} }
if (!PyCallable_Check(pFunc)) { if (!PyCallable_Check(pFunc)) {
PyGILState_Release(gstate); PyGILState_Release(gstate);
error->all(FLERR,"Python function is not callable"); error->all(FLERR,fmt::format("Python function {} is not callable",
pfuncs[ifunc].name));
} }
pfuncs[ifunc].pFunc = (void *) pFunc; pfuncs[ifunc].pFunc = (void *) pFunc;

23
src/variable.cpp
View File

@ -885,7 +885,7 @@ char *Variable::retrieve(const char *name)
if (which[ivar] >= num[ivar]) return nullptr; if (which[ivar] >= num[ivar]) return nullptr;
if (eval_in_progress[ivar]) if (eval_in_progress[ivar])
print_var_error(FLERR,"Variable has a circular dependency",ivar); print_var_error(FLERR,"has a circular dependency",ivar);
eval_in_progress[ivar] = 1; eval_in_progress[ivar] = 1;
@ -931,8 +931,8 @@ char *Variable::retrieve(const char *name)
} else if (style[ivar] == PYTHON) { } else if (style[ivar] == PYTHON) {
int ifunc = python->variable_match(data[ivar][0],name,0); int ifunc = python->variable_match(data[ivar][0],name,0);
if (ifunc < 0) if (ifunc < 0)
error->all(FLERR,fmt::format("Python variable '{}' does not match " error->all(FLERR,fmt::format("Python variable {} does not match "
"Python function", name)); "Python function {}", name, data[ivar][0]));
python->invoke_function(ifunc,data[ivar][1]); python->invoke_function(ifunc,data[ivar][1]);
str = data[ivar][1]; str = data[ivar][1];
// if Python func returns a string longer than VALUELENGTH // if Python func returns a string longer than VALUELENGTH
@ -960,7 +960,7 @@ char *Variable::retrieve(const char *name)
double Variable::compute_equal(int ivar) double Variable::compute_equal(int ivar)
{ {
if (eval_in_progress[ivar]) if (eval_in_progress[ivar])
print_var_error(FLERR,"Variable has a circular dependency",ivar); print_var_error(FLERR,"has a circular dependency",ivar);
eval_in_progress[ivar] = 1; eval_in_progress[ivar] = 1;
@ -970,7 +970,8 @@ double Variable::compute_equal(int ivar)
else if (style[ivar] == PYTHON) { else if (style[ivar] == PYTHON) {
int ifunc = python->find(data[ivar][0]); int ifunc = python->find(data[ivar][0]);
if (ifunc < 0) if (ifunc < 0)
print_var_error(FLERR,"Python variable has no function",ivar); print_var_error(FLERR,fmt::format("cannot find python function {}",
data[ivar][0]),ivar);
python->invoke_function(ifunc,data[ivar][1]); python->invoke_function(ifunc,data[ivar][1]);
value = atof(data[ivar][1]); value = atof(data[ivar][1]);
} }
@ -1004,7 +1005,7 @@ void Variable::compute_atom(int ivar, int igroup,
double *vstore; double *vstore;
if (eval_in_progress[ivar]) if (eval_in_progress[ivar])
print_var_error(FLERR,"Variable has a circular dependency",ivar); print_var_error(FLERR,"has a circular dependency",ivar);
eval_in_progress[ivar] = 1; eval_in_progress[ivar] = 1;
@ -1080,7 +1081,7 @@ int Variable::compute_vector(int ivar, double **result)
} }
if (eval_in_progress[ivar]) if (eval_in_progress[ivar])
print_var_error(FLERR,"Variable has a circular dependency",ivar); print_var_error(FLERR,"has a circular dependency",ivar);
eval_in_progress[ivar] = 1; eval_in_progress[ivar] = 1;
@ -1899,10 +1900,10 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
int ivar = find(word+2); int ivar = find(word+2);
if (ivar < 0) if (ivar < 0)
print_var_error(FLERR,"Invalid variable reference " print_var_error(FLERR,fmt::format("Invalid variable reference "
"in variable formula",ivar); "{} in variable formula",word),ivar);
if (eval_in_progress[ivar]) if (eval_in_progress[ivar])
print_var_error(FLERR,"Variable has circular dependency",ivar); print_var_error(FLERR,"has a circular dependency",ivar);
// parse zero or one trailing brackets // parse zero or one trailing brackets
// point i beyond last bracket // point i beyond last bracket
@ -4217,7 +4218,7 @@ int Variable::special_function(char *word, char *contents, Tree **tree,
print_var_error(FLERR,"Mis-matched special function variable " print_var_error(FLERR,"Mis-matched special function variable "
"in variable formula",ivar); "in variable formula",ivar);
if (eval_in_progress[ivar]) if (eval_in_progress[ivar])
print_var_error(FLERR,"Variable has circular dependency",ivar); print_var_error(FLERR,"has a circular dependency",ivar);
double *vec; double *vec;
nvec = compute_vector(ivar,&vec); nvec = compute_vector(ivar,&vec);