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when creating or replacing a fix or compute, return pointer to new instance

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This commit is contained in:
Axel Kohlmeyer
2021-08-06 12:00:54 -04:00
parent e789bf8925
commit 01f5b7e095
2 changed files with 18 additions and 19 deletions
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25
src/modify.cpp
View File

@ -803,7 +803,7 @@ int Modify::min_reset_ref()
add a new fix or replace one with same ID
------------------------------------------------------------------------- */
void Modify::add_fix(int narg, char **arg, int trysuffix)
Fix *Modify::add_fix(int narg, char **arg, int trysuffix)
{
if (narg < 3) error->all(FLERR,"Illegal fix command");
@ -956,13 +956,14 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
if (newflag) nfix++;
fmask[ifix] = fix[ifix]->setmask();
fix[ifix]->post_constructor();
return fix[ifix];
}
/* ----------------------------------------------------------------------
convenience function to allow adding a fix from a single string
------------------------------------------------------------------------- */
void Modify::add_fix(const std::string &fixcmd, int trysuffix)
Fix *Modify::add_fix(const std::string &fixcmd, int trysuffix)
{
auto args = utils::split_words(fixcmd);
std::vector<char *> newarg(args.size());
@ -970,7 +971,7 @@ void Modify::add_fix(const std::string &fixcmd, int trysuffix)
for (const auto &arg : args) {
newarg[i++] = (char *)arg.c_str();
}
add_fix(args.size(),newarg.data(),trysuffix);
return add_fix(args.size(),newarg.data(),trysuffix);
}
@ -981,8 +982,7 @@ void Modify::add_fix(const std::string &fixcmd, int trysuffix)
replace it later with the desired Fix instance
------------------------------------------------------------------------- */
void Modify::replace_fix(const char *replaceID,
int narg, char **arg, int trysuffix)
Fix *Modify::replace_fix(const char *replaceID, int narg, char **arg, int trysuffix)
{
int ifix = find_fix(replaceID);
if (ifix < 0) error->all(FLERR,"Modify replace_fix ID {} could not be found", replaceID);
@ -1007,15 +1007,14 @@ void Modify::replace_fix(const char *replaceID,
// invoke add_fix
// it will find and overwrite the replaceID fix
add_fix(narg,arg,trysuffix);
return add_fix(narg,arg,trysuffix);
}
/* ----------------------------------------------------------------------
convenience function to allow replacing a fix from a single string
------------------------------------------------------------------------- */
void Modify::replace_fix(const std::string &oldfix,
const std::string &fixcmd, int trysuffix)
Fix *Modify::replace_fix(const std::string &oldfix, const std::string &fixcmd, int trysuffix)
{
auto args = utils::split_words(fixcmd);
std::vector<char *> newarg(args.size());
@ -1023,7 +1022,7 @@ void Modify::replace_fix(const std::string &oldfix,
for (const auto &arg : args) {
newarg[i++] = (char *)arg.c_str();
}
replace_fix(oldfix.c_str(),args.size(),newarg.data(),trysuffix);
return replace_fix(oldfix.c_str(),args.size(),newarg.data(),trysuffix);
}
/* ----------------------------------------------------------------------
@ -1213,7 +1212,7 @@ int Modify::check_rigid_list_overlap(int *select)
add a new compute
------------------------------------------------------------------------- */
void Modify::add_compute(int narg, char **arg, int trysuffix)
Compute *Modify::add_compute(int narg, char **arg, int trysuffix)
{
if (narg < 3) error->all(FLERR,"Illegal compute command");
@ -1268,14 +1267,14 @@ void Modify::add_compute(int narg, char **arg, int trysuffix)
if (compute[ncompute] == nullptr)
error->all(FLERR,utils::check_packages_for_style("compute",arg[2],lmp));
ncompute++;
return compute[ncompute++];
}
/* ----------------------------------------------------------------------
convenience function to allow adding a compute from a single string
------------------------------------------------------------------------- */
void Modify::add_compute(const std::string &computecmd, int trysuffix)
Compute *Modify::add_compute(const std::string &computecmd, int trysuffix)
{
auto args = utils::split_words(computecmd);
std::vector<char *>newarg(args.size());
@ -1283,7 +1282,7 @@ void Modify::add_compute(const std::string &computecmd, int trysuffix)
for (const auto &arg : args) {
newarg[i++] = (char *)arg.c_str();
}
add_compute(args.size(),newarg.data(),trysuffix);
return add_compute(args.size(),newarg.data(),trysuffix);
}

12
src/modify.h
View File

@ -100,18 +100,18 @@ class Modify : protected Pointers {
virtual int min_dof();
virtual int min_reset_ref();
void add_fix(int, char **, int trysuffix = 1);
void add_fix(const std::string &, int trysuffix = 1);
void replace_fix(const char *, int, char **, int trysuffix = 1);
void replace_fix(const std::string &, const std::string &, int trysuffix = 1);
Fix *add_fix(int, char **, int trysuffix = 1);
Fix *add_fix(const std::string &, int trysuffix = 1);
Fix *replace_fix(const char *, int, char **, int trysuffix = 1);
Fix *replace_fix(const std::string &, const std::string &, int trysuffix = 1);
void modify_fix(int, char **);
void delete_fix(const std::string &);
void delete_fix(int);
int find_fix(const std::string &);
int find_fix_by_style(const char *);
void add_compute(int, char **, int trysuffix = 1);
void add_compute(const std::string &, int trysuffix = 1);
Compute *add_compute(int, char **, int trysuffix = 1);
Compute *add_compute(const std::string &, int trysuffix = 1);
void modify_compute(int, char **);
void delete_compute(const std::string &);
void delete_compute(int);