ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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core/pair_criteria/BondCriterion.hpp
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/*
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* Copyright (C) 2010-2022 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 ESPRESSO_SRC_CORE_PAIR_CRITERIA_BOND_CRITERION_HPP
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#define ESPRESSO_SRC_CORE_PAIR_CRITERIA_BOND_CRITERION_HPP
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#include "pair_criteria/PairCriterion.hpp"
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#include "
BondList.hpp
"
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namespace
PairCriteria
{
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/** @brief True if a bond of given type exists between two particles. */
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class
BondCriterion
:
public
PairCriterion
{
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public
:
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bool
decide
(
Particle
const
&p1,
Particle
const
&p2)
const override
{
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return
pair_bond_exists_on
(p1.
bonds
(), p2.
id
(), m_bond_type) ||
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pair_bond_exists_on
(p2.
bonds
(), p1.
id
(), m_bond_type);
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}
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int
get_bond_type
() {
return
m_bond_type; }
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void
set_bond_type
(
int
t) { m_bond_type = t; }
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private
:
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int
m_bond_type;
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};
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}
// namespace PairCriteria
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#endif
BondList.hpp
pair_bond_exists_on
bool pair_bond_exists_on(BondList const &bonds, int partner_id, int bond_id)
Check if there is a specific bond in a bond list.
Definition
BondList.hpp:238
PairCriteria::BondCriterion
True if a bond of given type exists between two particles.
Definition
core/pair_criteria/BondCriterion.hpp:28
PairCriteria::BondCriterion::decide
bool decide(Particle const &p1, Particle const &p2) const override
Definition
core/pair_criteria/BondCriterion.hpp:30
PairCriteria::BondCriterion::set_bond_type
void set_bond_type(int t)
Definition
core/pair_criteria/BondCriterion.hpp:35
PairCriteria::BondCriterion::get_bond_type
int get_bond_type()
Definition
core/pair_criteria/BondCriterion.hpp:34
PairCriteria::PairCriterion
Criterion which returns a true/false value for a pair of particles.
Definition
core/pair_criteria/PairCriterion.hpp:29
PairCriteria
Definition
core/pair_criteria/BondCriterion.hpp:26
Particle
Struct holding all information for one particle.
Definition
Particle.hpp:395
Particle::bonds
auto const & bonds() const
Definition
Particle.hpp:428
Particle::id
auto const & id() const
Definition
Particle.hpp:414
src
core
pair_criteria
BondCriterion.hpp
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