ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
Loading...
Searching...
No Matches
script_interface/accumulators/TimeSeries.hpp
Go to the documentation of this file.
1
/*
2
* Copyright (C) 2010-2022 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
#pragma once
21
22
#include "
AccumulatorBase.hpp
"
23
#include "
script_interface/observables/Observable.hpp
"
24
25
#include "
core/accumulators/TimeSeries.hpp
"
26
#include "
core/system/System.hpp
"
27
28
#include <algorithm>
29
#include <memory>
30
#include <string>
31
#include <utility>
32
#include <vector>
33
34
namespace
ScriptInterface
{
35
namespace
Accumulators
{
36
37
class
TimeSeries
:
public
AccumulatorBase
{
38
public
:
39
TimeSeries
() {
add_parameters
({{
"obs"
, std::as_const(m_obs)}}); }
40
41
void
do_construct
(
VariantMap
const
&
params
)
override
{
42
set_from_args
(m_obs,
params
,
"obs"
);
43
44
if
(m_obs)
45
m_accumulator = std::make_shared<::Accumulators::TimeSeries>(
46
get_core_system_pointer
(
params
),
47
get_value_or<int>
(
params
,
"delta_N"
, 1), m_obs->observable());
48
}
49
50
Variant
do_call_method
(std::string
const
&
method
,
51
VariantMap
const
&
parameters
)
override
{
52
if
(
method
==
"update"
) {
53
ObjectHandle::context
()->
parallel_try_catch
(
54
[&]() { m_accumulator->update(
context
()->get_comm()); });
55
return
{};
56
}
57
if
(
method
==
"time_series"
) {
58
auto
const
&
series
= m_accumulator->time_series();
59
std::vector<Variant>
ret
(
series
.size());
60
61
std::ranges::transform(
62
series
,
ret
.begin(),
63
[](std::vector<double>
const
&
sample
) { return sample; });
64
65
return
ret
;
66
}
67
if
(
method
==
"clear"
) {
68
m_accumulator->clear();
69
}
70
71
return
AccumulatorBase::do_call_method
(
method
,
parameters
);
72
}
73
74
std::shared_ptr<::Accumulators::AccumulatorBase>
accumulator
()
override
{
75
return
m_accumulator;
76
}
77
78
std::shared_ptr<const ::Accumulators::AccumulatorBase>
79
accumulator
()
const override
{
80
return
std::static_pointer_cast<::Accumulators::AccumulatorBase>(
81
m_accumulator);
82
}
83
84
private
:
85
/* The actual accumulator */
86
std::shared_ptr<::Accumulators::TimeSeries> m_accumulator;
87
std::shared_ptr<Observables::Observable> m_obs;
88
};
89
90
}
// namespace Accumulators
91
}
// namespace ScriptInterface
ScriptInterface::Accumulators::AccumulatorBase
Definition
script_interface/accumulators/AccumulatorBase.hpp:36
ScriptInterface::Accumulators::AccumulatorBase::get_core_system_pointer
auto get_core_system_pointer(VariantMap const ¶ms) const
Definition
script_interface/accumulators/AccumulatorBase.hpp:63
ScriptInterface::Accumulators::AccumulatorBase::do_call_method
Variant do_call_method(std::string const &method, VariantMap const ¶meters) override
Definition
script_interface/accumulators/AccumulatorBase.hpp:45
ScriptInterface::Accumulators::TimeSeries
Definition
script_interface/accumulators/TimeSeries.hpp:37
ScriptInterface::Accumulators::TimeSeries::accumulator
std::shared_ptr<::Accumulators::AccumulatorBase > accumulator() override
Definition
script_interface/accumulators/TimeSeries.hpp:74
ScriptInterface::Accumulators::TimeSeries::TimeSeries
TimeSeries()
Definition
script_interface/accumulators/TimeSeries.hpp:39
ScriptInterface::Accumulators::TimeSeries::accumulator
std::shared_ptr< const ::Accumulators::AccumulatorBase > accumulator() const override
Definition
script_interface/accumulators/TimeSeries.hpp:79
ScriptInterface::Accumulators::TimeSeries::do_call_method
Variant do_call_method(std::string const &method, VariantMap const ¶meters) override
Definition
script_interface/accumulators/TimeSeries.hpp:50
ScriptInterface::Accumulators::TimeSeries::do_construct
void do_construct(VariantMap const ¶ms) override
Definition
script_interface/accumulators/TimeSeries.hpp:41
ScriptInterface::AutoParameters< AccumulatorBase >::add_parameters
void add_parameters(std::vector< AutoParameter > &¶ms)
Definition
AutoParameters.hpp:123
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:57
stream
cudaStream_t stream[1]
CUDA streams for parallel computing on CPU and GPU.
Definition
common_cuda.cu:34
TimeSeries.hpp
System.hpp
Accumulators
Definition
core/accumulators/AccumulatorBase.hpp:35
ScriptInterface
Definition
script_interface/accumulators/AccumulatorBase.hpp:33
ScriptInterface::VariantMap
std::unordered_map< std::string, Variant > VariantMap
Definition
Variant.hpp:133
ScriptInterface::set_from_args
void set_from_args(T &dst, VariantMap const &vals, const char *name)
Definition
get_value.hpp:440
AccumulatorBase.hpp
Observable.hpp
params
static SteepestDescentParameters params
Currently active steepest descent instance.
Definition
steepest_descent.cpp:44
ScriptInterface::impl::recursive_variant
Recursive variant implementation.
Definition
Variant.hpp:84
src
script_interface
accumulators
TimeSeries.hpp
Generated on Mon Dec 8 2025 02:32:29 for ESPResSo by
1.9.8