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_Numbering.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_NUMBERING_HPP_
32#define KIM_NUMBERING_HPP_
33
34#include <string>
35
36namespace KIM
37{
47{
48 public:
59
64
70 Numbering(int const id);
71
79 Numbering(std::string const & str);
80
88 bool Known() const;
89
97 bool operator==(Numbering const & rhs) const;
98
106 bool operator!=(Numbering const & rhs) const;
107
118 std::string const & ToString() const;
119}; // class Numbering
120
123namespace NUMBERING
124{
132extern Numbering const zeroBased;
133
141extern Numbering const oneBased;
142
143
154void GetNumberOfNumberings(int * const numberOfNumberings);
155
169int GetNumbering(int const index, Numbering * const numbering);
170
175{
180 bool operator()(Numbering const & a, Numbering const & b) const
181 {
182 return a.numberingID < b.numberingID;
183 }
184}; // struct Comparator
185} // namespace NUMBERING
186} // namespace KIM
187
188#endif // KIM_NUMBERING_HPP_
An Extensible Enumeration for the Numbering's supported by the KIM API.
int numberingID
Integer identifying the specific Numbering represented.
Numbering()
Create an uninitialized Numbering object.
Numbering(std::string const &str)
Create a Numbering object corresponding to the provided string. If the string does not match one of t...
bool operator!=(Numbering const &rhs) const
Compares Numbering objects for inequality.
bool Known() const
Determines if the object is a quantity known to the KIM API.
bool operator==(Numbering const &rhs) const
Compares Numbering objects for equality.
std::string const & ToString() const
Converts the object to a string.
Numbering(int const id)
Create a Numbering object with the specified id.
int GetNumbering(int const index, Numbering *const numbering)
Get the identity of each defined standard Numbering.
void GetNumberOfNumberings(int *const numberOfNumberings)
Get the number of standard Numbering's defined by the KIM API.
Numbering const zeroBased
The standard zeroBased numbering.
Numbering const oneBased
The standard oneBased numbering.
Structure provided for use with std::map.
bool operator()(Numbering const &a, Numbering const &b) const
Provides an (logically unmeaningful) ordering for Numbering objects so that they can be stored in a s...