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Molecular Dynamics in the Open
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HydrodynamicsModelFactory.cpp
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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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*
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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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*
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* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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* AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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* IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
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* ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE
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* LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
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* CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF
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* SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
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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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#include "
hydrodynamics/HydrodynamicsModelFactory.hpp
"
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#include "
brains/SimInfo.hpp
"
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#include "hydrodynamics/HydrodynamicsModel.hpp"
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#include "hydrodynamics/HydrodynamicsModelCreator.hpp"
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#include "
utils/MemoryUtils.hpp
"
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namespace
OpenMD
{
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// initialize instance of HydrodynamicsModelFactory
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HydrodynamicsModelFactory
* HydrodynamicsModelFactory::instance_ = NULL;
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HydrodynamicsModelFactory::~HydrodynamicsModelFactory() {
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Utils::deletePointers(creatorMap_);
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}
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bool
HydrodynamicsModelFactory::registerHydrodynamicsModel
(
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HydrodynamicsModelCreator
* creator) {
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return
creatorMap_
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.insert(CreatorMapType::value_type(creator->getIdent(), creator))
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.second;
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}
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bool
HydrodynamicsModelFactory::unregisterHydrodynamicsModel
(
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const
std::string&
id
) {
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return
creatorMap_.erase(
id
) == 1;
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}
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HydrodynamicsModel
*
HydrodynamicsModelFactory::createHydrodynamicsModel
(
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const
std::string&
id
) {
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CreatorMapType::iterator i = creatorMap_.find(
id
);
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if
(i != creatorMap_.end()) {
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// invoke functor to create object
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return
(i->second)->create();
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}
else
{
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return
NULL;
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}
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}
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std::vector<std::string>
HydrodynamicsModelFactory::getIdents
() {
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IdentVectorType idents;
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CreatorMapType::iterator i;
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for
(i = creatorMap_.begin(); i != creatorMap_.end(); ++i) {
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idents.push_back(i->first);
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}
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return
idents;
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}
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std::ostream& operator<<(std::ostream& o,
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HydrodynamicsModelFactory
& factory) {
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HydrodynamicsModelFactory::IdentVectorType idents;
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HydrodynamicsModelFactory::IdentVectorIterator i;
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idents = factory.
getIdents
();
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o <<
"Avaliable type identifiers in this factory: "
<< std::endl;
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for
(i = idents.begin(); i != idents.end(); ++i) {
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o << *i << std::endl;
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}
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return
o;
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}
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}
// namespace OpenMD
HydrodynamicsModelFactory.hpp
MemoryUtils.hpp
SimInfo.hpp
OpenMD::HydrodynamicsModelCreator
Definition
HydrodynamicsModelCreator.hpp:61
OpenMD::HydrodynamicsModelFactory
Factory pattern and Singleton Pattern are used to define an interface for creating an HydrodynamicsMo...
Definition
HydrodynamicsModelFactory.hpp:75
OpenMD::HydrodynamicsModelFactory::registerHydrodynamicsModel
bool registerHydrodynamicsModel(HydrodynamicsModelCreator *creator)
Registers a creator with a type identifier.
Definition
HydrodynamicsModelFactory.cpp:64
OpenMD::HydrodynamicsModelFactory::getIdents
IdentVectorType getIdents()
Returns all of the registed type identifiers.
Definition
HydrodynamicsModelFactory.cpp:87
OpenMD::HydrodynamicsModelFactory::createHydrodynamicsModel
HydrodynamicsModel * createHydrodynamicsModel(const std::string &id)
Looks up the type identifier in the internal map.
Definition
HydrodynamicsModelFactory.cpp:76
OpenMD::HydrodynamicsModelFactory::unregisterHydrodynamicsModel
bool unregisterHydrodynamicsModel(const std::string &id)
Unregisters the creator for the given type identifier.
Definition
HydrodynamicsModelFactory.cpp:71
OpenMD::HydrodynamicsModel
Definition
HydrodynamicsModel.hpp:65
OpenMD
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.
Definition
ActionCorrFunc.cpp:63
hydrodynamics
HydrodynamicsModelFactory.cpp
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