ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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script_interface/observables/PairwiseDistances.hpp
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1/*
2 * Copyright (C) 2025 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#ifndef SCRIPT_INTERFACE_OBSERVABLES_PAIRWISEDISTANCES_HPP
21#define SCRIPT_INTERFACE_OBSERVABLES_PAIRWISEDISTANCES_HPP
22
26
27#include <memory>
28#include <vector>
29
30namespace ScriptInterface {
31namespace Observables {
32
33template <typename CoreObs>
35 : public AutoParameters<PairwiseDistances<CoreObs>, Observable> {
37
38public:
39 using Base::Base;
40
43 [this]() { return m_observable->ids(); }},
44 {"target_ids", AutoParameter::read_only,
45 [this]() { return m_observable->target_ids(); }}});
46 }
47
48 void do_construct(VariantMap const &params) override {
50 m_observable =
52 params, "ids", "target_ids");
53 });
54 }
55
56 std::shared_ptr<::Observables::Observable> observable() const override {
57 return m_observable;
58 }
59
60private:
61 std::shared_ptr<CoreObs> m_observable;
62};
63
64} // namespace Observables
65} // namespace ScriptInterface
66
67#endif
Bind parameters in the script interface.
virtual void parallel_try_catch(std::function< void()> const &cb) const =0
Context * context() const
Responsible context.
Base class for script interfaces to core observables classes.
std::shared_ptr<::Observables::Observable > observable() const 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
static SteepestDescentParameters params
Currently active steepest descent instance.
static constexpr const ReadOnly read_only