ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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script_interface/walberla/LatticeWalberla.hpp
Go to the documentation of this file.
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/*
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* Copyright (C) 2021-2023 The ESPResSo project
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*
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* This file is part of ESPResSo.
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*
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* ESPResSo is free software: you can redistribute it and/or modify
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* it under the terms of the GNU General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* ESPResSo is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU General Public License for more details.
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*
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* You should have received a copy of the GNU General Public License
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* along with this program. If not, see <http://www.gnu.org/licenses/>.
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*/
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#pragma once
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#include "
config/config.hpp
"
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#ifdef WALBERLA
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#include "
core/BoxGeometry.hpp
"
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#include "
core/communication.hpp
"
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#include "
core/system/System.hpp
"
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#include <
walberla_bridge/LatticeWalberla.hpp
>
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#include <
script_interface/ScriptInterface.hpp
>
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#include <
script_interface/auto_parameters/AutoParameters.hpp
>
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#include <cmath>
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#include <memory>
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#include <stdexcept>
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#include <string>
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namespace
ScriptInterface::walberla
{
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class
LatticeWalberla
:
public
AutoParameters
<LatticeWalberla> {
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std::shared_ptr<::LatticeWalberla> m_lattice;
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double
m_agrid;
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Utils::Vector3d
m_box_l;
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public
:
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LatticeWalberla
() {
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add_parameters
({
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{
"agrid"
,
AutoParameter::read_only
, [
this
]() {
return
m_agrid; }},
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{
"n_ghost_layers"
,
AutoParameter::read_only
,
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[
this
]() {
return
static_cast<
int
>
(m_lattice->get_ghost_layers()); }},
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{
"shape"
,
AutoParameter::read_only
,
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[
this
]() {
return
m_lattice->get_grid_dimensions(); }},
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{
"_box_l"
,
AutoParameter::read_only
, [
this
]() {
return
m_box_l; }},
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});
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}
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void
do_construct
(
VariantMap
const
&
args
)
override
{
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auto
const
&box_geo = *
::System::get_system
().
box_geo
;
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m_agrid =
get_value<double>
(
args
,
"agrid"
);
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m_box_l =
get_value_or<Utils::Vector3d>
(
args
,
"_box_l"
, box_geo.length());
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auto
const
n_ghost_layers
=
get_value<int>
(
args
,
"n_ghost_layers"
);
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context
()->
parallel_try_catch
([&]() {
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if
(m_agrid <= 0.) {
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throw
std::domain_error(
"Parameter 'agrid' must be > 0"
);
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}
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if
(
n_ghost_layers
< 0) {
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throw
std::domain_error(
"Parameter 'n_ghost_layers' must be >= 0"
);
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}
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auto
const
grid_dim
=
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::LatticeWalberla::calc_grid_dimensions
(m_box_l, m_agrid);
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m_lattice = std::make_shared<::LatticeWalberla>(
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grid_dim
,
::communicator
.node_grid,
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static_cast<
unsigned
int
>
(
n_ghost_layers
));
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});
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}
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std::shared_ptr<::LatticeWalberla>
lattice
() {
return
m_lattice; }
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std::shared_ptr<const ::LatticeWalberla>
lattice
()
const
{
return
m_lattice; }
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};
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}
// namespace ScriptInterface::walberla
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#endif
// WALBERLA
AutoParameters.hpp
BoxGeometry.hpp
ScriptInterface.hpp
LatticeWalberla::calc_grid_dimensions
static Utils::Vector3i calc_grid_dimensions(Utils::Vector3d const &box_size, double agrid)
Definition
LatticeWalberla.cpp:102
ScriptInterface::AutoParameters
Bind parameters in the script interface.
Definition
AutoParameters.hpp:93
ScriptInterface::AutoParameters< LatticeWalberla >::add_parameters
void add_parameters(std::vector< AutoParameter > &¶ms)
Definition
AutoParameters.hpp:115
ScriptInterface::Context::parallel_try_catch
virtual void parallel_try_catch(std::function< void()> const &cb) const =0
ScriptInterface::ObjectHandle::context
Context * context() const
Responsible context.
Definition
ObjectHandle.hpp:58
ScriptInterface::walberla::LatticeWalberla
Definition
script_interface/walberla/LatticeWalberla.hpp:42
ScriptInterface::walberla::LatticeWalberla::lattice
std::shared_ptr<::LatticeWalberla > lattice()
Definition
script_interface/walberla/LatticeWalberla.hpp:80
ScriptInterface::walberla::LatticeWalberla::do_construct
void do_construct(VariantMap const &args) override
Definition
script_interface/walberla/LatticeWalberla.hpp:59
ScriptInterface::walberla::LatticeWalberla::LatticeWalberla
LatticeWalberla()
Definition
script_interface/walberla/LatticeWalberla.hpp:48
ScriptInterface::walberla::LatticeWalberla::lattice
std::shared_ptr< const ::LatticeWalberla > lattice() const
Definition
script_interface/walberla/LatticeWalberla.hpp:81
System::System::box_geo
std::shared_ptr< BoxGeometry > box_geo
Definition
core/system/System.hpp:278
Utils::Vector
Definition
Vector.hpp:48
communicator
Communicator communicator
Definition
communication.cpp:48
config.hpp
This file contains the defaults for ESPResSo.
communication.hpp
This file contains the asynchronous MPI communication.
System.hpp
ScriptInterface::walberla
Definition
script_interface/walberla/EKContainer.hpp:47
ScriptInterface::get_value
T get_value(Variant const &v)
Extract value of specific type T from a Variant.
Definition
get_value.hpp:400
ScriptInterface::VariantMap
std::unordered_map< std::string, Variant > VariantMap
Definition
Variant.hpp:69
System::get_system
System & get_system()
Definition
core/system/System.cpp:122
ScriptInterface::AutoParameter::read_only
static constexpr const ReadOnly read_only
Definition
AutoParameter.hpp:42
LatticeWalberla.hpp
src
script_interface
walberla
LatticeWalberla.hpp
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