diff --git a/tools/lammps-gui/lammpswrapper.cpp b/tools/lammps-gui/lammpswrapper.cpp index ff5a4f2213..bb46d7c425 100644 --- a/tools/lammps-gui/lammpswrapper.cpp +++ b/tools/lammps-gui/lammpswrapper.cpp @@ -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; diff --git a/tools/lammps-gui/lammpswrapper.h b/tools/lammps-gui/lammpswrapper.h index 064e784981..555307960c 100644 --- a/tools/lammps-gui/lammpswrapper.h +++ b/tools/lammps-gui/lammpswrapper.h @@ -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;