refactor. add LammpsWrapper class to hide plugin defines and interface changes.

tools/lammps-gui/lammpswrapper.cpp

@@ -0,0 +1,185 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   https://www.lammps.org/, Sandia National Laboratories
+   LAMMPS development team: developers@lammps.org
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#include "lammpswrapper.h"
+
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+#include "liblammpsplugin.h"
+#else
+#include "library.h"
+#endif
+
+LammpsWrapper::LammpsWrapper() :
+    lammps_handle(nullptr), plugin_handle(nullptr)
+{
+}
+
+void LammpsWrapper::open(int narg, char **args)
+{
+    if (!lammps_handle) {
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+        lammps_handle = ((liblammpsplugin_t *)plugin_handle)->open_no_mpi(narg, args, nullptr);
+#else
+        lammps_handle = lammps_open_no_mpi(narg, args, nullptr);
+#endif
+    }
+}
+
+int LammpsWrapper::extract_setting(const char *keyword)
+{
+    int val = 0;
+    if (lammps_handle) {
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+        val = ((liblammpsplugin_t *)plugin_handle)->extract_setting(lammps_handle, keyword);
+#else
+        val = lammps_extract_setting(lammps_handle, keyword);
+#endif
+    }
+    return val;
+}
+
+double LammpsWrapper::get_thermo(const char *keyword)
+{
+    double val = 0.0;
+    if (lammps_handle) {
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+        val = ((liblammpsplugin_t *)plugin_handle)->get_thermo(lammps_handle, keyword);
+#else
+        val = lammps_get_thermo(lammps_handle, keyword);
+#endif
+    }
+    return val;
+}
+
+bool LammpsWrapper::is_running()
+{
+    int val = 0;
+    if (lammps_handle) {
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+        val = ((liblammpsplugin_t *)plugin_handle)->is_running(lammps_handle);
+#else
+        val = lammps_is_running(lammps_handle);
+#endif
+    }
+    return val != 0;
+}
+
+void LammpsWrapper::command(const char *input)
+{
+    if (lammps_handle) {
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+        ((liblammpsplugin_t *)plugin_handle)->command(lammps_handle, input);
+#else
+        lammps_command(lammps_handle, input);
+#endif
+    }
+}
+
+void LammpsWrapper::commands_string(const char *input)
+{
+    if (lammps_handle) {
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+        ((liblammpsplugin_t *)plugin_handle)->commands_string(lammps_handle, input);
+#else
+        lammps_commands_string(lammps_handle, input);
+#endif
+    }
+}
+
+// may be called with null handle. returns global error then.
+bool LammpsWrapper::has_error() const
+{
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+    return ((liblammpsplugin_t *)plugin_handle)->has_error(lammps_handle) != 0;
+#else
+    return lammps_has_error(lammps_handle) != 0;
+#endif
+}
+
+int LammpsWrapper::get_last_error_message(char *buf, int buflen)
+{
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+    return ((liblammpsplugin_t *)plugin_handle)->get_last_error_message(lammps_handle, buf, buflen);
+#else
+    return lammps_get_last_error_message(lammps_handle, buf, buflen);
+#endif
+}
+
+void LammpsWrapper::force_timeout()
+{
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+    ((liblammpsplugin_t *)plugin_handle)->force_timeout(lammps_handle);
+#else
+    lammps_force_timeout(lammps_handle);
+#endif
+}
+
+void LammpsWrapper::close()
+{
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+    if (lammps_handle) ((liblammpsplugin_t *)plugin_handle)->close(lammps_handle);
+#else
+    if (lammps_handle) lammps_close(lammps_handle);
+#endif
+    lammps_handle = nullptr;
+}
+
+void LammpsWrapper::finalize()
+{
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+    if (lammps_handle) {
+        liblammpsplugin_t *lammps = (liblammpsplugin_t *)plugin_handle;
+        lammps->close(lammps_handle);
+        lammps->mpi_finalize();
+        lammps->kokkos_finalize();
+        lammps->python_finalize();
+    }
+#else
+    if (lammps_handle) {
+        lammps_close(lammps_handle);
+        lammps_mpi_finalize();
+        lammps_kokkos_finalize();
+        lammps_python_finalize();
+    }
+#endif
+}
+
+#if defined(LAMMPS_GUI_USE_PLUGIN)
+bool LammpsWrapper::has_plugin() const
+{
+    return true;
+}
+
+bool LammpsWrapper::load_lib(const char *libfile)
+{
+    if (plugin_handle) liblammpsplugin_release((liblammpsplugin_t *)plugin_handle);
+    plugin_handle = liblammpsplugin_load(libfile);
+    if (!plugin_handle) return false;
+    if (((liblammpsplugin_t *)plugin_handle)->abiversion != LAMMPSPLUGIN_ABI_VERSION) return false;
+    return true;
+}
+#else
+bool LammpsWrapper::has_plugin() const
+{
+    return false;
+}
+
+bool LammpsWrapper::load_lib(const char *)
+{
+    return true;
+}
+#endif
+
+// Local Variables:
+// c-basic-offset: 4
+// End: