File: KIM_Numbering.hpp

package info (click to toggle)
kim-api 2.4.1-1~exp1
  • links: PTS, VCS
  • area: main
  • in suites: experimental
  • size: 4,624 kB
  • sloc: cpp: 32,594; f90: 12,746; ansic: 3,041; sh: 1,283; lisp: 130; python: 35; makefile: 13
file content (188 lines) | stat: -rw-r--r-- 5,715 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
//
// KIM-API: An API for interatomic models
// Copyright (c) 2013--2022, Regents of the University of Minnesota.
// All rights reserved.
//
// Contributors:
//    Ryan S. Elliott
//
// SPDX-License-Identifier: LGPL-2.1-or-later
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the GNU Lesser General Public
// License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
//
// This library is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public License
// along with this library; if not, write to the Free Software Foundation,
// Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA
//

//
// Release: This file is part of the kim-api.git repository.
//


#ifndef KIM_NUMBERING_HPP_
#define KIM_NUMBERING_HPP_

#include <string>

namespace KIM
{
/// \brief An \ref extensible_enumeration "Extensible Enumeration" for the
/// Numbering's supported by the %KIM API.
///
/// The enumeration constants are contained in the NUMBERING namespace.
///
/// \sa KIM_Numbering, kim_numbering_module::kim_numbering_type
///
/// \since 2.0
class Numbering
{
 public:
  /// \brief Integer identifying the specific Numbering represented.
  ///
  /// \note This should not be directly accessed and is only public for
  /// cross-language reasons.
  ///
  /// \sa KIM_Numbering::numberingID,
  /// kim_numbering_module::kim_numbering_type::numbering_id
  ///
  /// \since 2.0
  int numberingID;

  /// \brief Create an uninitialized Numbering object.
  ///
  /// \since 2.0
  Numbering();

  /// \brief Create a Numbering object with the specified id.
  ///
  /// \note This should not be used directly.
  ///
  /// \since 2.0
  Numbering(int const id);

  /// \brief Create a Numbering object corresponding to the provided string.
  /// If the string does not match one of the values defined by the %KIM API,
  /// then an "unknown" object is generated.
  ///
  /// \sa KIM_Numbering_FromString, kim_numbering_module::kim_from_string
  ///
  /// \since 2.0
  Numbering(std::string const & str);

  /// \brief Determines if the object is a quantity known to the %KIM API.
  ///
  /// Numbering's known to the %KIM API are found in the NUMBERING namespace.
  ///
  /// \sa KIM_Numbering_Known, kim_numbering_module::kim_known
  ///
  /// \since 2.0
  bool Known() const;

  /// \brief Compares Numbering objects for equality.
  ///
  /// \note Not all "unknown" objects are equal.
  ///
  /// \sa KIM_Numbering_Equal, kim_numbering_module::operator(.eq.)
  ///
  /// \since 2.0
  bool operator==(Numbering const & rhs) const;

  /// \brief Compares Numbering objects for inequality.
  ///
  /// \note It is possible for two "unknown" objects to be not equal.
  ///
  /// \sa KIM_Numbering_NotEqual, kim_numbering_module::operator(.ne.)
  ///
  /// \since 2.0
  bool operator!=(Numbering const & rhs) const;

  /// \brief Converts the object to a string.
  ///
  /// \return A string object representing the Numbering object.
  ///
  /// \note If the Numbering object does not correspond to a value defined by
  /// the %KIM API, then the string "unknown" is returned.
  ///
  /// \sa KIM_Numbering_ToString, kim_numbering_module::kim_to_string
  ///
  /// \since 2.0
  std::string const & ToString() const;
};  // class Numbering

/// \brief Contains the enumeration constants and the discovery routines for
/// the Numbering \ref extensible_enumeration "Extensible Enumeration".
namespace NUMBERING
{
/// \brief The standard \c zeroBased numbering.
///
/// Quantities are numbered starting from zero.
///
/// \sa KIM_NUMBERING_zeroBased, kim_numbering_module::kim_numbering_zero_based
///
/// \since 2.0
extern Numbering const zeroBased;

/// \brief The standard \c oneBased numbering.
///
/// Quantities are numbered starting from one.
///
/// \sa KIM_NUMBERING_oneBased, kim_numbering_module::kim_numbering_one_based
///
/// \since 2.0
extern Numbering const oneBased;


/// \brief Get the number of standard Numbering's defined by the %KIM
/// API.
///
/// \param[out] numberOfNumberings The number of standard Numbering's defined
///             by the %KIM API.
///
/// \sa KIM_NUMBERING_GetNumberOfNumberings,
/// kim_numbering_module::kim_get_number_of_numberings
///
/// \since 2.0
void GetNumberOfNumberings(int * const numberOfNumberings);

/// \brief Get the identity of each defined standard Numbering.
///
/// \param[in]  index Zero-based index uniquely labeling each defined standard
///             Numbering.  This index ordering is only guaranteed to be stable
///             during the lifetime of the current process.
/// \param[out] numbering The Numbering object associated with \c index.
///
/// \return \c true if `index < 0` or `index >= numberOfNumberings`.
/// \return \c false otherwise.
///
/// \sa KIM_NUMBERING_GetNumbering, kim_numbering_module::kim_get_numbering
///
/// \since 2.0
int GetNumbering(int const index, Numbering * const numbering);

/// \brief Structure provided for use with std::map.
///
/// \since 2.0
struct Comparator
{
  /// \brief Provides an (logically unmeaningful) ordering for Numbering
  /// objects so that they can be stored in a std::map.
  ///
  /// \since 2.0
  bool operator()(Numbering const & a, Numbering const & b) const
  {
    return a.numberingID < b.numberingID;
  }
};  // struct Comparator
}  // namespace NUMBERING
}  // namespace KIM

#endif  // KIM_NUMBERING_HPP_