ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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EKSpeciesSlice.cpp
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1/*
2 * Copyright (C) 2021-2023 The ESPResSo project
3 *
4 * This file is part of ESPResSo.
5 *
6 * ESPResSo is free software: you can redistribute it and/or modify
7 * it under the terms of the GNU General Public License as published by
8 * the Free Software Foundation, either version 3 of the License, or
9 * (at your option) any later version.
10 *
11 * ESPResSo is distributed in the hope that it will be useful,
12 * but WITHOUT ANY WARRANTY; without even the implied warranty of
13 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14 * GNU General Public License for more details.
15 *
16 * You should have received a copy of the GNU General Public License
17 * along with this program. If not, see <http://www.gnu.org/licenses/>.
18 */
19
20#include "config/config.hpp"
21
22#ifdef WALBERLA
23
24#include "EKSpeciesSlice.hpp"
25
26#include "LatticeSlice.impl.hpp"
27
28#include <stdexcept>
29#include <string>
30#include <type_traits>
31#include <vector>
32
34
36 VariantMap const &params) {
37 if (name == "get_slice_size") {
39 }
40 if (name == "get_slice_ranges") {
41 return {std::vector<Variant>{m_slice_lower_corner, m_slice_upper_corner}};
42 }
43 if (name == "get_ek_sip") {
44 return {m_ek_sip};
45 }
46 if (name == "get_value_shape") {
47 auto const name = get_value<std::string>(params, "name");
48 if (m_shape_val.count(name) == 0) {
50 throw std::runtime_error("Unknown EK property '" + name + "'");
51 });
52 }
53 return m_shape_val.at(name);
54 }
55
56 // slice getter/setter callback
57 auto const call = [this, params](auto method_ptr,
58 std::vector<int> const &data_dims,
59 double units = 1.) -> Variant {
60 auto &obj = *m_ek_species;
61 if constexpr (std::is_invocable_v<decltype(method_ptr), LatticeModel *,
62 Utils::Vector3i const &,
63 Utils::Vector3i const &>) {
65 } else {
67 return {};
68 }
69 };
70
71 if (name == "get_density") {
72 return call(&LatticeModel::get_slice_density, {1}, 1. / m_conv_dens);
73 }
74 if (name == "set_density") {
75 return call(&LatticeModel::set_slice_density, {1}, m_conv_dens);
76 }
77 if (name == "get_is_boundary") {
78 return call(&LatticeModel::get_slice_is_boundary, {1});
79 }
80 if (name == "get_flux_at_boundary") {
82 1. / m_conv_flux);
83 }
84 if (name == "set_flux_at_boundary") {
85 return call(&LatticeModel::set_slice_flux_boundary, {1}, m_conv_flux);
86 }
87 if (name == "get_density_at_boundary") {
89 1. / m_conv_dens);
90 }
91 if (name == "set_density_at_boundary") {
92 return call(&LatticeModel::set_slice_density_boundary, {1}, m_conv_dens);
93 }
94
95 return {};
96}
97
98} // namespace ScriptInterface::walberla
99
100#endif // WALBERLA
Interface of a lattice-based electrokinetic model.
virtual std::vector< std::optional< double > > get_slice_density_at_boundary(Utils::Vector3i const &lower_corner, Utils::Vector3i const &upper_corner) const =0
Get slice density boundary conditions.
virtual std::vector< bool > get_slice_is_boundary(Utils::Vector3i const &lower_corner, Utils::Vector3i const &upper_corner) const =0
Check if slice has any boundary conditions.
virtual void set_slice_density_boundary(Utils::Vector3i const &lower_corner, Utils::Vector3i const &upper_corner, std::vector< std::optional< double > > const &density)=0
Set slice density boundary conditions.
virtual void set_slice_flux_boundary(Utils::Vector3i const &lower_corner, Utils::Vector3i const &upper_corner, std::vector< std::optional< Utils::Vector3d > > const &flux)=0
Set slice flux boundary conditions.
virtual std::vector< std::optional< Utils::Vector3d > > get_slice_flux_at_boundary(Utils::Vector3i const &lower_corner, Utils::Vector3i const &upper_corner) const =0
Get slice flux boundary conditions.
virtual std::vector< double > get_slice_density(Utils::Vector3i const &lower_corner, Utils::Vector3i const &upper_corner) const =0
Get slice density.
virtual void set_slice_density(Utils::Vector3i const &lower_corner, Utils::Vector3i const &upper_corner, std::vector< double > const &density)=0
Set slice density.
virtual void parallel_try_catch(std::function< void()> const &cb) const =0
boost::string_ref name() const
Context * context() const
Responsible context.
Variant do_call_method(std::string const &name, VariantMap const &params) override
Variant gather_3d(VariantMap const &params, std::vector< int > const &data_dims, LatticeModel const &lattice_model, std::vector< T >(LatticeModel::*getter)(Utils::Vector3i const &, Utils::Vector3i const &) const, double units_conversion=1.) const
void scatter_3d(VariantMap const &params, std::vector< int > const &data_dims, LatticeModel &lattice_model, void(LatticeModel::*setter)(Utils::Vector3i const &, Utils::Vector3i const &, std::vector< T > const &), double units_conversion=1.)
This file contains the defaults for ESPResSo.
T get_value(Variant const &v)
Extract value of specific type T from a Variant.
std::unordered_map< std::string, Variant > VariantMap
Definition Variant.hpp:69
boost::make_recursive_variant< None, bool, int, std::size_t, double, std::string, ObjectRef, Utils::Vector3b, Utils::Vector3i, Utils::Vector2d, Utils::Vector3d, Utils::Vector4d, std::vector< int >, std::vector< double >, std::vector< boost::recursive_variant_ >, std::unordered_map< int, boost::recursive_variant_ >, std::unordered_map< std::string, boost::recursive_variant_ > >::type Variant
Possible types for parameters.
Definition Variant.hpp:67
static SteepestDescentParameters params
Currently active steepest descent instance.