kim-api 2.4.1+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
 
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KIM_ComputeCallbackName.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-2.4.1 package.
28//
29
30
31#ifndef KIM_COMPUTE_CALLBACK_NAME_HPP_
32#define KIM_COMPUTE_CALLBACK_NAME_HPP_
33
34#include <string>
35
36namespace KIM
37{
49{
50 public:
62
67
73 ComputeCallbackName(int const id);
74
83 ComputeCallbackName(std::string const & str);
84
94 bool Known() const;
95
104 bool operator==(ComputeCallbackName const & rhs) const;
105
114 bool operator!=(ComputeCallbackName const & rhs) const;
115
127 std::string const & ToString() const;
128}; // class ComputeCallbackName
129
134{
148
162
176
177
188void GetNumberOfComputeCallbackNames(int * const numberOfComputeCallbackNames);
189
205int GetComputeCallbackName(int const index,
206 ComputeCallbackName * const computeCallbackName);
207
212{
218 ComputeCallbackName const & b) const
219 {
221 }
222}; // struct Comparator
223} // namespace COMPUTE_CALLBACK_NAME
224} // namespace KIM
225
226#endif // KIM_COMPUTE_CALLBACK_NAME_HPP_
An Extensible Enumeration for the ComputeCallbackName's supported by the KIM API.
std::string const & ToString() const
Converts the object to a string.
bool operator!=(ComputeCallbackName const &rhs) const
Compares ComputeCallbackName objects for inequality.
ComputeCallbackName(int const id)
Create a ComputeCallbackName object with the specified id.
ComputeCallbackName(std::string const &str)
Create a ComputeCallbackName object corresponding to the provided string. If the string does not matc...
bool operator==(ComputeCallbackName const &rhs) const
Compares ComputeCallbackName objects for equality.
bool Known() const
Determines if the object is a quantity known to the KIM API.
ComputeCallbackName()
Create an uninitialized ComputeCallbackName object.
int computeCallbackNameID
Integer identifying the specific ComputeCallbackName represented.
Contains the enumeration constants and the discovery routines for the ComputeCallbackName Extensible ...
void GetNumberOfComputeCallbackNames(int *const numberOfComputeCallbackNames)
Get the number of standard ComputeCallbackName's defined by the KIM API.
ComputeCallbackName const ProcessDEDrTerm
The standard ProcessDEDrTerm callback.
int GetComputeCallbackName(int const index, ComputeCallbackName *const computeCallbackName)
Get the identity of each defined standard ComputeCallbackName.
ComputeCallbackName const GetNeighborList
The standard GetNeighborList callback.
ComputeCallbackName const ProcessD2EDr2Term
The standard ProcessD2EDr2Term callback.
Structure provided for use with std::map.
bool operator()(ComputeCallbackName const &a, ComputeCallbackName const &b) const
Provides an (logically unmeaningful) ordering for ComputeCallbackName objects so that they can be sto...