ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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script_interface/observables/Observable.hpp
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1/*
2 * Copyright (C) 2010-2022 The ESPResSo project
3 * Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010
4 * Max-Planck-Institute for Polymer Research, Theory Group
5 *
6 * This file is part of ESPResSo.
7 *
8 * ESPResSo is free software: you can redistribute it and/or modify
9 * it under the terms of the GNU General Public License as published by
10 * the Free Software Foundation, either version 3 of the License, or
11 * (at your option) any later version.
12 *
13 * ESPResSo is distributed in the hope that it will be useful,
14 * but WITHOUT ANY WARRANTY; without even the implied warranty of
15 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
16 * GNU General Public License for more details.
17 *
18 * You should have received a copy of the GNU General Public License
19 * along with this program. If not, see <http://www.gnu.org/licenses/>.
20 */
21
22#ifndef SCRIPT_INTERFACE_OBSERVABLES_OBSERVABLE_HPP
23#define SCRIPT_INTERFACE_OBSERVABLES_OBSERVABLE_HPP
24
26
28
29#include <memory>
30#include <stdexcept>
31#include <string>
32#include <vector>
33
34namespace ScriptInterface {
35namespace Observables {
36
37/** Base class for script interfaces to core observables classes */
38class Observable : public ObjectHandle {
39public:
40 virtual std::shared_ptr<::Observables::Observable> observable() const = 0;
41 Variant do_call_method(std::string const &method,
42 VariantMap const &) override {
43 if (method == "calculate") {
44 std::vector<double> out{};
45 context()->parallel_try_catch([this, &out]() {
46 out = observable()->operator()(context()->get_comm());
47 });
48 return out;
49 }
50 if (method == "shape") {
51 auto const shape = observable()->shape();
52 return std::vector<int>{shape.begin(), shape.end()};
53 }
54 return {};
55 }
56};
57} /* namespace Observables */
58} /* namespace ScriptInterface */
59
60#endif
virtual void parallel_try_catch(std::function< void()> const &cb) const =0
virtual boost::mpi::communicator const & get_comm() const =0
Base class for interface handles.
Context * context() const
Responsible context.
Base class for script interfaces to core observables classes.
Variant do_call_method(std::string const &method, VariantMap const &) override
virtual std::shared_ptr<::Observables::Observable > observable() const =0
cudaStream_t stream[1]
CUDA streams for parallel computing on CPU and GPU.
std::unordered_map< std::string, Variant > VariantMap
Definition Variant.hpp:133
Recursive variant implementation.
Definition Variant.hpp:84