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IntegratorFactory.hpp
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/*
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* Copyright (c) 2004-present, The University of Notre Dame. All rights
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* reserved.
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*
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* Redistribution and use in source and binary forms, with or without
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* modification, are permitted provided that the following conditions are met:
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*
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* 1. Redistributions of source code must retain the above copyright notice,
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* this list of conditions and the following disclaimer.
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* 2. Redistributions in binary form must reproduce the above copyright notice,
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* this list of conditions and the following disclaimer in the documentation
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* and/or other materials provided with the distribution.
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*
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* 3. Neither the name of the copyright holder nor the names of its
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* contributors may be used to endorse or promote products derived from
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* this software without specific prior written permission.
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* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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* INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
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* CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
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* ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
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* POSSIBILITY OF SUCH DAMAGE.
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*
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* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
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* research, please cite the following paper when you publish your work:
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*
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* [1] Drisko et al., J. Open Source Softw. 9, 7004 (2024).
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*
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* Good starting points for code and simulation methodology are:
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*
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* [2] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
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* [3] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
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* [4] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
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* [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
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* [7] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
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* [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
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* [9] Drisko & Gezelter, J. Chem. Theory Comput. 20, 4986-4997 (2024).
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*/
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/**
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* @file IntegratorFactory.hpp
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* @author Teng Lin
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* @date 10/24/2004
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* @version 1.0
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*/
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#ifndef INTEGRATORS_INTEGRATORFACTORY_HPP
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#define INTEGRATORS_INTEGRATORFACTORY_HPP
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#include <cassert>
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#include <iostream>
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#include <map>
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#include <string>
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#include <vector>
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namespace
OpenMD
{
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// forward declaration
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class
Integrator
;
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class
IntegratorCreator
;
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class
SimInfo
;
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/**
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* @class IntegratorFactory
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* Factory pattern and Singleton Pattern are used to define an interface for
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* creating an Integrator.
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*/
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class
IntegratorFactory {
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public
:
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using
CreatorMapType = std::map<std::string, IntegratorCreator*>;
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using
IdentVectorType = std::vector<std::string>;
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using
IdentVectorIterator = std::vector<std::string>::iterator;
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/**
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* Returns an instance of Integrator factory
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* @return an instance of Integrator factory
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*/
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static
IntegratorFactory&
getInstance
() {
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static
IntegratorFactory instance {};
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return
instance;
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}
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/**
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* Registers a creator with a type identifier
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* @return true if registration is successful, otherwise return false
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* @param creator the object responsible for creating the concrete object
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*/
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bool
registerIntegrator
(
IntegratorCreator
* creator);
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/**
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* Unregisters the creator for the given type identifier. If the type
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* identifier was previously registered, the function returns true.
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* @return truethe type identifier was previously registered and the creator
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* is removed, otherwise return false
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* @param id the identification of the concrete object
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*/
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bool
unregisterIntegrator
(
const
std::string&
id
);
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/**
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* Looks up the type identifier in the internal map. If it is found, it
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* invokes the corresponding creator for the type identifier and returns its
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* result.
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* @return a pointer of the concrete object, return NULL if no creator is
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* registed for creating this concrete object
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* @param id the identification string of the concrete object
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* @param info pointer to the concrete SimInfo object
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*/
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Integrator
*
createIntegrator
(
const
std::string&
id
,
SimInfo
* info);
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/**
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* Returns all of the registed type identifiers
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* @return all of the registed type identifiers
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*/
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IdentVectorType
getIdents
();
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private
:
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IntegratorFactory
() =
default
;
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~IntegratorFactory
();
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IntegratorFactory
(
const
IntegratorFactory
&) =
delete
;
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IntegratorFactory
& operator=(
const
IntegratorFactory
&) =
delete
;
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CreatorMapType creatorMap_;
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};
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/** write out all of the type identifiers to an output stream */
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std::ostream& operator<<(std::ostream& o, IntegratorFactory& factory);
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}
// namespace OpenMD
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#endif
// INTEGRATORS_INTEGRATORFACTORY_HPP
OpenMD::IntegratorCreator
Definition
IntegratorCreator.hpp:61
OpenMD::IntegratorFactory
Factory pattern and Singleton Pattern are used to define an interface for creating an Integrator.
Definition
IntegratorFactory.hpp:75
OpenMD::IntegratorFactory::unregisterIntegrator
bool unregisterIntegrator(const std::string &id)
Unregisters the creator for the given type identifier.
Definition
IntegratorFactory.cpp:65
OpenMD::IntegratorFactory::getIdents
IdentVectorType getIdents()
Returns all of the registed type identifiers.
Definition
IntegratorFactory.cpp:80
OpenMD::IntegratorFactory::createIntegrator
Integrator * createIntegrator(const std::string &id, SimInfo *info)
Looks up the type identifier in the internal map.
Definition
IntegratorFactory.cpp:69
OpenMD::IntegratorFactory::getInstance
static IntegratorFactory & getInstance()
Returns an instance of Integrator factory.
Definition
IntegratorFactory.hpp:86
OpenMD::IntegratorFactory::registerIntegrator
bool registerIntegrator(IntegratorCreator *creator)
Registers a creator with a type identifier.
Definition
IntegratorFactory.cpp:59
OpenMD::Integrator
Declaration of the Integrator base class, which all other integrators inherit from.
Definition
Integrator.hpp:76
OpenMD::SimInfo
One of the heavy-weight classes of OpenMD, SimInfo maintains objects and variables relating to the cu...
Definition
SimInfo.hpp:96
OpenMD
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.
Definition
ActionCorrFunc.cpp:63
integrators
IntegratorFactory.hpp
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