ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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script_interface/observables/PairwiseDistances.hpp
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/*
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* Copyright (C) 2025 The ESPResSo project
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*
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* This file is part of ESPResSo.
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*
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* ESPResSo is free software: you can redistribute it and/or modify
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* it under the terms of the GNU General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* ESPResSo is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU General Public License for more details.
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*
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* You should have received a copy of the GNU General Public License
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* along with this program. If not, see <http://www.gnu.org/licenses/>.
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*/
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#ifndef SCRIPT_INTERFACE_OBSERVABLES_PAIRWISEDISTANCES_HPP
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#define SCRIPT_INTERFACE_OBSERVABLES_PAIRWISEDISTANCES_HPP
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#include "
core/observables/PairwiseDistances.hpp
"
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#include "
script_interface/auto_parameters/AutoParameters.hpp
"
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#include "
script_interface/observables/Observable.hpp
"
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#include <memory>
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#include <vector>
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namespace
ScriptInterface
{
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namespace
Observables
{
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template
<
typename
CoreObs>
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class
PairwiseDistances
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:
public
AutoParameters
<PairwiseDistances<CoreObs>, Observable> {
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using
Base
=
AutoParameters<PairwiseDistances<CoreObs>
,
Observable
>;
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public
:
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using
Base::Base;
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PairwiseDistances
() {
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this->
add_parameters
({{
"ids"
,
AutoParameter::read_only
,
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[
this
]() {
return
m_observable->ids(); }},
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{
"target_ids"
,
AutoParameter::read_only
,
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[
this
]() {
return
m_observable->target_ids(); }}});
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}
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void
do_construct
(
VariantMap
const
&
params
)
override
{
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ObjectHandle::context
()->
parallel_try_catch
([&]() {
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m_observable =
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make_shared_from_args<CoreObs, std::vector<int>
, std::vector<int>>(
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params
,
"ids"
,
"target_ids"
);
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});
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}
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std::shared_ptr<::Observables::Observable>
observable
()
const override
{
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return
m_observable;
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}
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private
:
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std::shared_ptr<CoreObs> m_observable;
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};
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}
// namespace Observables
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}
// namespace ScriptInterface
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#endif
AutoParameters.hpp
ScriptInterface::AutoParameters
Bind parameters in the script interface.
Definition
AutoParameters.hpp:93
ScriptInterface::AutoParameters< PairwiseDistances< CoreObs >, Observable >::add_parameters
void add_parameters(std::vector< AutoParameter > &¶ms)
Definition
AutoParameters.hpp:118
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:58
ScriptInterface::Observables::Observable
Base class for script interfaces to core observables classes.
Definition
script_interface/observables/Observable.hpp:38
ScriptInterface::Observables::PairwiseDistances
Definition
script_interface/observables/PairwiseDistances.hpp:35
ScriptInterface::Observables::PairwiseDistances::do_construct
void do_construct(VariantMap const ¶ms) override
Definition
script_interface/observables/PairwiseDistances.hpp:48
ScriptInterface::Observables::PairwiseDistances::observable
std::shared_ptr<::Observables::Observable > observable() const override
Definition
script_interface/observables/PairwiseDistances.hpp:56
ScriptInterface::Observables::PairwiseDistances::PairwiseDistances
PairwiseDistances()
Definition
script_interface/observables/PairwiseDistances.hpp:41
PairwiseDistances.hpp
Observables
Definition
BondAngles.hpp:36
ScriptInterface
Definition
script_interface/accumulators/AccumulatorBase.hpp:33
ScriptInterface::get_value
T get_value(Variant const &v)
Extract value of specific type T from a Variant.
Definition
get_value.hpp:400
ScriptInterface::VariantMap
std::unordered_map< std::string, Variant > VariantMap
Definition
Variant.hpp:69
Observable.hpp
params
static SteepestDescentParameters params
Currently active steepest descent instance.
Definition
steepest_descent.cpp:44
ScriptInterface::AutoParameter::read_only
static constexpr const ReadOnly read_only
Definition
AutoParameter.hpp:42
src
script_interface
observables
PairwiseDistances.hpp
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