Static overload for update_collision_model

espressomd · Sep 3, 2024 · 64392b7 · 64392b7
1 parent 3cad5ac
commit 64392b7
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Showing 3 changed files with 12 additions and 52 deletions.
diff --git a/src/core/lb/LBWalberla.cpp b/src/core/lb/LBWalberla.cpp
@@ -154,34 +154,16 @@ void LBWalberla::set_collision_model(double kT, unsigned int seed) {
 }
 
 void LBWalberla::update_collision_model() {
-  auto &system = System::get_system();
   auto const energy_conversion =
       Utils::int_pow<2>(lb_params->get_agrid() / lb_params->get_tau());
   auto const lb_kT = lb_fluid->get_kT() * energy_conversion;
-  if (auto le_protocol = system.lees_edwards->get_protocol()) {
-    if (lb_kT != 0.) {
-      throw std::runtime_error(
-          "Lees-Edwards LB doesn't support thermalization");
-    }
-    auto const &le_bc = system.box_geo->lees_edwards_bc();
-    auto lees_edwards_object = std::make_unique<LeesEdwardsPack>(
-        le_bc.shear_direction, le_bc.shear_plane_normal,
-        [this, le_protocol, &system]() {
-          return get_pos_offset(system.get_sim_time(), *le_protocol) /
-                 get_agrid();
-        },
-        [this, le_protocol, &system]() {
-          return get_shear_velocity(system.get_sim_time(), *le_protocol) *
-                 (get_tau() / get_agrid());
-        });
-    set_collision_model(std::move(lees_edwards_object));
-  } else {
-    auto const seed = lb_fluid->get_seed();
-    set_collision_model(lb_kT, seed);
-  }
+  auto const seed = lb_fluid->get_seed();
+  update_collision_model(lb_fluid, seed, lb_kT, lb_params);
 }
 
-void LBWalberla::update_collision_model_static(std::shared_ptr<LBWalberlaBase> m_instance, int seed, double lb_kT, std::shared_ptr<LB::LBWalberlaParams> m_lb_params) {
+void LBWalberla::update_collision_model(
+    std::shared_ptr<LBWalberlaBase> m_instance, int seed, double lb_kT,
+    std::shared_ptr<LB::LBWalberlaParams> m_lb_params) {
   auto const &system = ::System::get_system();
   if (auto le_protocol = system.lees_edwards->get_protocol()) {
     if (lb_kT != 0.) {
@@ -199,7 +181,7 @@ void LBWalberla::update_collision_model_static(std::shared_ptr<LBWalberlaBase> m
           return get_shear_velocity(system.get_sim_time(), *le_protocol) *
                  (m_lb_params->get_tau() / m_lb_params->get_agrid());
         });
-      m_instance->set_collision_model(std::move(lees_edwards_object));
+    m_instance->set_collision_model(std::move(lees_edwards_object));
   } else {
     m_instance->set_collision_model(lb_kT, seed);
   }

diff --git a/src/core/lb/LBWalberla.hpp b/src/core/lb/LBWalberla.hpp
@@ -95,7 +95,10 @@ struct LBWalberla {
   set_collision_model(std::unique_ptr<LeesEdwardsPack> &&lees_edwards_pack);
   void set_collision_model(double kT, unsigned int seed);
   void update_collision_model();
-  static void update_collision_model_static(std::shared_ptr<LBWalberlaBase> m_instance, int seed, double lb_kT, std::shared_ptr<LB::LBWalberlaParams> m_lb_params);
+  static void
+  update_collision_model(std::shared_ptr<LBWalberlaBase> m_instance, int seed,
+                         double lb_kT,
+                         std::shared_ptr<LB::LBWalberlaParams> m_lb_params);
 };
 
 } // namespace LB

diff --git a/src/script_interface/walberla/LBFluid.cpp b/src/script_interface/walberla/LBFluid.cpp
@@ -188,33 +188,8 @@ void LBFluid::do_construct(VariantMap const &params) {
       throw std::domain_error("Parameter 'kinematic_viscosity' must be >= 0");
     }
     make_instance(params);
-    ::System::get_system().lb.update_collision_model();
-    /*
-    auto const &system = ::System::get_system();
-    if (auto le_protocol = system.lees_edwards->get_protocol()) {
-      if (lb_kT != 0.) {
-        throw std::runtime_error(
-            "Lees-Edwards LB doesn't support thermalization");
-      }
-      auto const &le_bc = system.box_geo->lees_edwards_bc();
-      auto lees_edwards_object = std::make_unique<LeesEdwardsPack>(
-          le_bc.shear_direction, le_bc.shear_plane_normal,
-          [this, le_protocol, &system]() {
-            return get_pos_offset(system.get_sim_time(), *le_protocol) /
-                   m_lb_params->get_agrid();
-          },
-          [this, le_protocol, &system]() {
-            return get_shear_velocity(system.get_sim_time(), *le_protocol) *
-                   (m_lb_params->get_tau() / m_lb_params->get_agrid());
-          });
-      //m_instance->set_collision_model(std::move(lees_edwards_object));
-      //m_instance->set_collision_model(std::move(lees_edwards_object));
-      ::System::get_system().lb.set_collision_model(std::move(lees_edwards_object))
-    } else {
-      m_instance->set_collision_model(lb_kT, m_seed);
-    }
-    m_instance->ghost_communication(); // synchronize ghost layers
-    */
+    LB::LBWalberla::update_collision_model(m_instance, m_seed, lb_kT,
+                                           m_lb_params);
     m_instance->set_external_force(lb_ext_f);
     for (auto &vtk : m_vtk_writers) {
       vtk->attach_to_lattice(m_instance, get_latice_to_md_units_conversion());