added binding for ParticleBoundaryBuffer

Python/pywarpx/_libwarpx.py

@@ -200,7 +200,7 @@ def initialize(self, argv=None, mpi_comm=None):
         self.libwarpx_so.read_BC_params()
         if self.geometry_dim == 'rz':
             self.libwarpx_so.check_gridding_for_RZ_spectral()
-        self.warpx = self.libwarpx_so.WarpX()
+        self.warpx = self.libwarpx_so.get_instance()
         self.warpx.initialize_data()
         self.libwarpx_so.execute_python_callback("afterinit");
         self.libwarpx_so.execute_python_callback("particleloader");
@@ -233,8 +233,7 @@ def getistep(self, level=0):
             The refinement level to reference
         '''
 
-        warpx = self.libwarpx_so.get_instance()
-        return warpx.getistep(level)
+        return self.warpx.getistep(level)
 
     def gett_new(self, level=0):
         '''
@@ -248,8 +247,7 @@ def gett_new(self, level=0):
             The refinement level to reference
         '''
 
-        warpx = self.libwarpx_so.get_instance()
-        return warpx.gett_new(level)
+        return self.warpx.gett_new(level)
 
     def evolve(self, num_steps=-1):
         '''
@@ -468,8 +466,7 @@ def add_particles(self, species_name, x=None, y=None, z=None, ux=None, uy=None,
         # uy = uy.astype(self._numpy_particlereal_dtype, copy=False)
         # uz = uz.astype(self._numpy_particlereal_dtype, copy=False)
 
-        warpx = self.libwarpx_so.get_instance()
-        mpc = warpx.multi_particle_container()
+        mpc = self.warpx.multi_particle_container()
         pc = mpc.get_particle_container_from_name(species_name)
         pc.add_n_particles(0, x.size, x, y, z, ux, uy, uz,
             nattr, attr, nattr_int, attr_int, unique_particles)
@@ -495,8 +492,7 @@ def get_particle_count(self, species_name, local=False):
             An integer count of the number of particles
         '''
 
-        warpx = self.libwarpx_so.get_instance()
-        mypc = warpx.multi_particle_container()
+        mypc = self.warpx.multi_particle_container()
         myspc = mypc.get_particle_container_from_name(species_name)
         return myspc.total_number_of_particles(True, local)
 
@@ -525,8 +521,7 @@ def get_particle_structs(self, species_name, level):
             The requested particle struct data
         '''
 
-        warpx = self.libwarpx_so.get_instance()
-        mypc = warpx.multi_particle_container()
+        mypc = self.warpx.multi_particle_container()
         myspc = mypc.get_particle_container_from_name(species_name)
 
         particle_data = []
@@ -755,8 +750,8 @@ def get_particle_comp_index(self, species_name, pid_name):
         int
             Integer corresponding to the index of the requested attribute
         '''
-        warpx = self.libwarpx_so.get_instance()
-        mpc = warpx.multi_particle_container()
+
+        mpc = self.warpx.multi_particle_container()
         pc = mpc.get_particle_container_from_name(species_name)
 
         return self.libwarpx_so.warpx_getParticleCompIndex(
@@ -780,8 +775,8 @@ def add_real_comp(self, species_name, pid_name, comm=True):
         comm           : bool
             Should the component be communicated
         '''
-        warpx = self.libwarpx_so.get_instance()
-        mpc = warpx.multi_particle_container()
+
+        mpc = self.warpx.multi_particle_container()
         pc = mpc.get_particle_container_from_name(species_name)
         pc.add_real_comp(pid_name, comm)
 
@@ -823,9 +818,10 @@ def get_particle_boundary_buffer_size(self, species_name, boundary, local=False)
             processor's buffer
         '''
 
-        return self.libwarpx_so.warpx_getParticleBoundaryBufferSize(
-            ctypes.c_char_p(species_name.encode('utf-8')),
-            self._get_boundary_number(boundary), local
+        particle_buffer = self.warpx.get_particle_boundary_buffer()
+        return particle_buffer.get_num_particles_in_container(
+            species_name, self._get_boundary_number(boundary),
+            local=local
         )
 
     def get_particle_boundary_buffer_structs(self, species_name, boundary, level):

Source/Particles/ParticleBoundaryBuffer.H

@@ -21,6 +21,18 @@ class ParticleBoundaryBuffer
 public:
     ParticleBoundaryBuffer ();
 
+    ~ParticleBoundaryBuffer() {}
+
+    /** Copy constructor for ParticleBoundaryBuffer */
+    ParticleBoundaryBuffer ( const ParticleBoundaryBuffer &) = delete;
+    /** Copy operator for ParticleBoundaryBuffer */
+    ParticleBoundaryBuffer& operator= ( const ParticleBoundaryBuffer & ) = delete;
+
+    /** Move constructor for NamedComponentParticleContainer */
+    ParticleBoundaryBuffer ( ParticleBoundaryBuffer && ) = default;
+    /** Move operator for NamedComponentParticleContainer */
+    ParticleBoundaryBuffer& operator= ( ParticleBoundaryBuffer && ) = default;
+
     int numSpecies() const { return getSpeciesNames().size(); }
 
     const std::vector<std::string>& getSpeciesNames() const {

Source/Python/Particles/CMakeLists.txt

@@ -8,6 +8,7 @@ foreach(D IN LISTS WarpX_DIMS)
         target_sources(pyWarpX_${SD}
           PRIVATE
             # pybind11
+            ParticleBoundaryBuffer.cpp
             MultiParticleContainer.cpp
             WarpXParticleContainer.cpp
         )

Source/Python/Particles/MultiParticleContainer.cpp

@@ -10,6 +10,7 @@
 
 namespace py = pybind11;
 
+
 void init_MultiParticleContainer (py::module& m)
 {
     py::class_<MultiParticleContainer> mpc(m, "MultiParticleContainer");

Source/Python/Particles/ParticleBoundaryBuffer.cpp

@@ -0,0 +1,27 @@
+/* Copyright 2021-2023 The WarpX Community
+ *
+ * Authors: Axel Huebl, Remi Lehe, Roelof Groenewald
+ * License: BSD-3-Clause-LBNL
+ */
+
+#include <Particles/ParticleBoundaryBuffer.H>
+#include <Particles/MultiParticleContainer.H>
+#include <Python/pyWarpX.H>
+
+namespace py = pybind11;
+
+
+void init_ParticleBoundaryBuffer (py::module& m)
+{
+    py::class_<ParticleBoundaryBuffer>(m, "ParticleBoundaryBuffer")
+        .def(py::init<>())
+        .def("get_num_particles_in_container",
+            [](ParticleBoundaryBuffer& pbc,
+            const std::string species_name, int boundary, bool local)
+            {
+                return pbc.getNumParticlesInContainer(species_name, boundary, local);
+            },
+            py::arg("species_name"), py::arg("boundary"), py::arg("local")=true
+        )
+    ;
+}

Source/Python/WarpX.cpp

@@ -5,6 +5,7 @@
  */
 #include "pyWarpX.H"
 #include "Particles/MultiParticleContainer.H"
+#include "Particles/ParticleBoundaryBuffer.H"
 
 #include <WarpX.H>
 
@@ -66,7 +67,12 @@ void init_WarpX (py::module& m)
             py::return_value_policy::reference_internal,
             "Return MultiFabs by name, e.g., 'Efield_aux[x][l=0]', 'Efield_cp[x][l=0]', ..."
         )
-        .def("multi_particle_container", &WarpX::GetPartContainer,
+        .def("multi_particle_container",
+            [](WarpX& wx){ return &wx.GetPartContainer(); },
+            py::return_value_policy::reference_internal
+        )
+        .def("get_particle_boundary_buffer",
+            [](WarpX& wx){ return &wx.GetParticleBoundaryBuffer(); },
             py::return_value_policy::reference_internal
         )
 

Source/Python/WarpXWrappers.cpp

@@ -259,13 +259,6 @@
         return myspc.sumParticleCharge(local);
     }
 
-    int warpx_getParticleBoundaryBufferSize(const char* species_name, int boundary, bool local)
-    {
-        const std::string name(species_name);
-        auto& particle_buffers = WarpX::GetInstance().GetParticleBoundaryBuffer();
-        return particle_buffers.getNumParticlesInContainer(species_name, boundary, local);
-    }
-
     int** warpx_getParticleBoundaryBufferScrapedSteps(const char* species_name, int boundary, int lev,
                      int* num_tiles, int** particles_per_tile)
     {

Source/Python/pyWarpX.cpp

@@ -30,9 +30,10 @@ namespace py = pybind11;
 
 
 // forward declarations of exposed classes
+void init_MultiParticleContainer (py::module&);
+void init_ParticleBoundaryBuffer (py::module&);
 void init_WarpXParIter (py::module&);
 void init_WarpXParticleContainer (py::module&);
-void init_MultiParticleContainer (py::module&);
 void init_WarpX(py::module&);
 
 PYBIND11_MODULE(PYWARPX_MODULE_NAME, m) {
@@ -58,6 +59,7 @@ PYBIND11_MODULE(PYWARPX_MODULE_NAME, m) {
     // note: order from parent to child classes
     init_WarpXParticleContainer(m);
     init_WarpXParIter(m);
+    init_ParticleBoundaryBuffer(m);
     init_MultiParticleContainer(m);
     init_WarpX(m);