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add extract_global() and extract_atom()

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This commit is contained in:
Axel Kohlmeyer
2023-08-17 00:39:10 -04:00
parent 43347b87ce
commit 3ac856cc92
2 changed files with 32 additions and 0 deletions
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26
tools/lammps-gui/lammpswrapper.cpp
View File

@ -45,6 +45,32 @@ int LammpsWrapper::extract_setting(const char *keyword)
return val;
}
void *LammpsWrapper::extract_global(const char *keyword)
{
void *val = nullptr;
if (lammps_handle) {
#if defined(LAMMPS_GUI_USE_PLUGIN)
val = ((liblammpsplugin_t *)plugin_handle)->extract_global(lammps_handle, keyword);
#else
val = lammps_extract_global(lammps_handle, keyword);
#endif
}
return val;
}
void *LammpsWrapper::extract_atom(const char *keyword)
{
void *val = nullptr;
if (lammps_handle) {
#if defined(LAMMPS_GUI_USE_PLUGIN)
val = ((liblammpsplugin_t *)plugin_handle)->extract_atom(lammps_handle, keyword);
#else
val = lammps_extract_atom(lammps_handle, keyword);
#endif
}
return val;
}
int LammpsWrapper::id_count(const char *keyword)
{
int val = 0;

6
tools/lammps-gui/lammpswrapper.h
View File

@ -29,15 +29,21 @@ public:
void force_timeout();
int extract_setting(const char *keyword);
void *extract_global(const char *keyword);
void *extract_atom(const char *keyword);
int id_count(const char *idtype);
int id_name(const char *idtype, int idx, char *buf, int buflen);
double get_thermo(const char *keyword);
void *last_thermo(const char *keyword, int idx);
bool is_open() const { return lammps_handle != nullptr; }
bool is_running();
bool has_error() const;
int get_last_error_message(char *errorbuf, int buflen);
bool config_accelerator(const char *package, const char *category, const char *setting) const;
bool config_has_package(const char *pkg) const;
bool has_gpu_device() const;