ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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ParticleSlice.cpp
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1/*
2 * Copyright (C) 2022 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 "ParticleSlice.hpp"
21#include "ParticleHandle.hpp"
22
24
26
27#include <memory>
28#include <stdexcept>
29#include <string>
30#include <vector>
31
32namespace ScriptInterface {
33namespace Particles {
34
36 if (params.contains("__cell_structure")) {
38 params, "__cell_structure");
39 so->configure(*this);
40 m_cell_structure = so;
41 }
42 if (params.contains("__bonded_ias")) {
44 params, "__bonded_ias");
45 }
46 m_id_selection = get_value<std::vector<int>>(params, "id_selection");
47 m_chunk_size = get_value_or<int>(params, "prefetch_chunk_size", 10000);
48 if (not context()->is_head_node()) {
49 return;
50 }
51 for (auto const pid : m_id_selection) {
52 if (not particle_exists(pid)) {
53 throw std::out_of_range("Particle does not exist: " +
54 std::to_string(pid));
55 }
56 }
57}
58
59Variant ParticleSlice::do_call_method(std::string const &name,
60 VariantMap const &params) {
61 if (not context()->is_head_node()) {
62 return {};
63 }
64 if (name == "prefetch_particle_data") {
65 auto p_ids = get_value<std::vector<int>>(params, "chunk");
67 return {};
68 }
69 if (name == "get_particle") {
70 return context()->make_shared(
71 "Particles::ParticleHandle",
72 {{"id", get_value<int>(params, "p_id")},
73 {"__cell_structure", m_cell_structure.lock()},
74 {"__bonded_ias", m_bonded_ias.lock()}});
75 }
76 return {};
77}
78
79} // namespace Particles
80} // namespace ScriptInterface
virtual std::shared_ptr< ObjectHandle > make_shared(std::string const &name, const VariantMap &parameters)=0
Get a new reference counted instance of a script interface by name.
boost::string_ref name() const
Context * context() const
Responsible context.
Variant do_call_method(std::string const &name, VariantMap const &params) override
void do_construct(VariantMap const &params) override
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
void prefetch_particle_data(std::span< const int > in_ids)
Fetch a range of particle into the fetch cache.
bool particle_exists(int p_id)
Check if particle exists.
Particles creation and deletion.
static SteepestDescentParameters params
Currently active steepest descent instance.