kim-api 2.3.0+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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KIM_ModelRefresh.hpp
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1//
2// KIM-API: An API for interatomic models
3// Copyright (c) 2013--2022, Regents of the University of Minnesota.
4// All rights reserved.
5//
6// Contributors:
7// Ryan S. Elliott
8//
9// SPDX-License-Identifier: LGPL-2.1-or-later
10//
11// This library is free software; you can redistribute it and/or
12// modify it under the terms of the GNU Lesser General Public
13// License as published by the Free Software Foundation; either
14// version 2.1 of the License, or (at your option) any later version.
15//
16// This library is distributed in the hope that it will be useful,
17// but WITHOUT ANY WARRANTY; without even the implied warranty of
18// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
19// Lesser General Public License for more details.
20//
21// You should have received a copy of the GNU Lesser General Public License
22// along with this library; if not, write to the Free Software Foundation,
23// Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
24//
25
26//
27// Release: This file is part of the kim-api-2.3.0 package.
28//
29
30
31#ifndef KIM_MODEL_REFRESH_HPP_
32#define KIM_MODEL_REFRESH_HPP_
33
34#include <sstream>
35#include <string>
36
37namespace KIM
38{
39// Forward declarations
40class LogVerbosity;
41class ModelRefreshImplementation;
42
43
52{
53 public:
70 void SetInfluenceDistancePointer(double const * const influenceDistance);
71
95 int const numberOfNeighborLists,
96 double const * const cutoffs,
97 int const * const modelWillNotRequestNeighborsOfNoncontributingParticles);
98
115 void GetModelBufferPointer(void ** const ptr) const;
116
131 void LogEntry(LogVerbosity const logVerbosity,
132 std::string const & message,
133 int const lineNumber,
134 std::string const & fileName) const;
135
137 void LogEntry(LogVerbosity const logVerbosity,
138 std::stringstream const & message,
139 int const lineNumber,
140 std::string const & fileName) const;
141
151 std::string const & ToString() const;
152
153 private:
154 // do not allow copy constructor or operator=
155 ModelRefresh(ModelRefresh const &);
156 void operator=(ModelRefresh const &);
157
158 ModelRefresh();
160
161 ModelRefreshImplementation * pimpl;
162}; // class ModelRefresh
163} // namespace KIM
164
165#endif // KIM_MODEL_REFRESH_HPP_
An Extensible Enumeration for the LogVerbosity's supported by the KIM API.
Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::R...
void LogEntry(LogVerbosity const logVerbosity, std::stringstream const &message, int const lineNumber, std::string const &fileName) const
This is an overloaded member function, provided for convenience. It differs from the above function o...
std::string const & ToString() const
Get a string representing the internal state of the Model object.
void LogEntry(LogVerbosity const logVerbosity, std::string const &message, int const lineNumber, std::string const &fileName) const
Write a log entry into the log file.
void GetModelBufferPointer(void **const ptr) const
Get the Model's buffer pointer within the Model object.
void SetNeighborListPointers(int const numberOfNeighborLists, double const *const cutoffs, int const *const modelWillNotRequestNeighborsOfNoncontributingParticles)
Set the Model's neighbor list data pointers.
void SetInfluenceDistancePointer(double const *const influenceDistance)
Set the Model's influence distance data pointer.