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
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
|
!
! 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.
!
!> \brief \copybrief KIM::Numbering
!!
!! \sa KIM::Numbering, KIM_Numbering
!!
!! \since 2.0
module kim_numbering_module
use, intrinsic :: iso_c_binding
implicit none
private
public &
! Derived types
kim_numbering_type, &
! Constants
KIM_NUMBERING_ZERO_BASED, &
KIM_NUMBERING_ONE_BASED, &
! Routines
kim_known, &
operator(.eq.), &
operator(.ne.), &
kim_from_string, &
kim_to_string, &
kim_get_number_of_numberings, &
kim_get_numbering
!> \brief \copybrief KIM::Numbering
!!
!! \sa KIM::Numbering, KIM_Numbering
!!
!! \since 2.0
type, bind(c) :: kim_numbering_type
integer(c_int) :: numbering_id
end type kim_numbering_type
!> \brief \copybrief KIM::NUMBERING::zeroBased
!!
!! \sa KIM::NUMBERING::zeroBased, KIM_NUMBERING_zeroBased
!!
!! \since 2.0
type(kim_numbering_type), protected, save, &
bind(c, name="KIM_NUMBERING_zeroBased") &
:: KIM_NUMBERING_ZERO_BASED
!> \brief \copybrief KIM::NUMBERING::oneBased
!!
!! \sa KIM::NUMBERING::oneBased, KIM_NUMBERING_oneBased
!!
!! \since 2.0
type(kim_numbering_type), protected, save, &
bind(c, name="KIM_NUMBERING_oneBased") &
:: KIM_NUMBERING_ONE_BASED
!> \brief \copybrief KIM::Numbering::Known
!!
!! \sa KIM::Numbering::Known, KIM_Numbering_Known
!!
!! \since 2.0
interface kim_known
module procedure kim_numbering_known
end interface kim_known
!> \brief \copybrief KIM::Numbering::operator==()
!!
!! \sa KIM::Numbering::operator==(), KIM_Numbering_Equal
!!
!! \since 2.0
interface operator(.eq.)
module procedure kim_numbering_equal
end interface operator(.eq.)
!> \brief \copybrief KIM::Numbering::operator!=()
!!
!! \sa KIM::Numbering::operator!=(), KIM_Numbering_NotEqual
!!
!! \since 2.0
interface operator(.ne.)
module procedure kim_numbering_not_equal
end interface operator(.ne.)
!> \brief \copybrief KIM::Numbering::Numbering(std::string const &)
!!
!! \sa KIM::Numbering::Numbering(std::string const &),
!! KIM_Numbering_FromString
!!
!! \since 2.0
interface kim_from_string
module procedure kim_numbering_from_string
end interface kim_from_string
!> \brief \copybrief KIM::Numbering::ToString
!!
!! \sa KIM::Numbering::ToString, KIM_Numbering_ToString
!!
!! \since 2.0
interface kim_to_string
module procedure kim_numbering_to_string
end interface kim_to_string
contains
!> \brief \copybrief KIM::Numbering::Known
!!
!! \sa KIM::Numbering::Known, KIM_Numbering_Known
!!
!! \since 2.0
logical recursive function kim_numbering_known(numbering)
implicit none
interface
integer(c_int) recursive function known(numbering) &
bind(c, name="KIM_Numbering_Known")
use, intrinsic :: iso_c_binding
import kim_numbering_type
implicit none
type(kim_numbering_type), intent(in), value :: numbering
end function known
end interface
type(kim_numbering_type), intent(in) :: numbering
kim_numbering_known = (known(numbering) /= 0)
end function kim_numbering_known
!> \brief \copybrief KIM::Numbering::operator==()
!!
!! \sa KIM::Numbering::operator==(), KIM_Numbering_Equal
!!
!! \since 2.0
logical recursive function kim_numbering_equal(lhs, rhs)
implicit none
type(kim_numbering_type), intent(in) :: lhs
type(kim_numbering_type), intent(in) :: rhs
kim_numbering_equal = (lhs%numbering_id == rhs%numbering_id)
end function kim_numbering_equal
!> \brief \copybrief KIM::Numbering::operator!=()
!!
!! \sa KIM::Numbering::operator!=(), KIM_Numbering_NotEqual
!!
!! \since 2.0
logical recursive function kim_numbering_not_equal(lhs, rhs)
implicit none
type(kim_numbering_type), intent(in) :: lhs
type(kim_numbering_type), intent(in) :: rhs
kim_numbering_not_equal = .not. (lhs == rhs)
end function kim_numbering_not_equal
!> \brief \copybrief KIM::Numbering::Numbering(std::string const &)
!!
!! \sa KIM::Numbering::Numbering(std::string const &),
!! KIM_Numbering_FromString
!!
!! \since 2.0
recursive subroutine kim_numbering_from_string(string, numbering)
implicit none
interface
type(kim_numbering_type) recursive function from_string(string) &
bind(c, name="KIM_Numbering_FromString")
use, intrinsic :: iso_c_binding
import kim_numbering_type
implicit none
character(c_char), intent(in) :: string(*)
end function from_string
end interface
character(len=*, kind=c_char), intent(in) :: string
type(kim_numbering_type), intent(out) :: numbering
numbering = from_string(trim(string)//c_null_char)
end subroutine kim_numbering_from_string
!> \brief \copybrief KIM::Numbering::ToString
!!
!! \sa KIM::Numbering::ToString, KIM_Numbering_ToString
!!
!! \since 2.0
recursive subroutine kim_numbering_to_string(numbering, string)
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
type(c_ptr) recursive function get_string(numbering) &
bind(c, name="KIM_Numbering_ToString")
use, intrinsic :: iso_c_binding
import kim_numbering_type
implicit none
type(kim_numbering_type), intent(in), value :: numbering
end function get_string
end interface
type(kim_numbering_type), intent(in) :: numbering
character(len=*, kind=c_char), intent(out) :: string
type(c_ptr) :: p
p = get_string(numbering)
call kim_convert_c_char_ptr_to_string(p, string)
end subroutine kim_numbering_to_string
!> \brief \copybrief KIM::NUMBERING::GetNumberOfNumberings
!!
!! \sa KIM::NUMBERING::GetNumberOfNumberings,
!! KIM_NUMBERING_GetNumberOfNumberings
!!
!! \since 2.0
recursive subroutine kim_get_number_of_numberings(number_of_numberings)
implicit none
interface
recursive subroutine get_number_of_numberings(number_of_numberings) &
bind(c, name="KIM_NUMBERING_GetNumberOfNumberings")
use, intrinsic :: iso_c_binding
implicit none
integer(c_int), intent(out) :: number_of_numberings
end subroutine get_number_of_numberings
end interface
integer(c_int), intent(out) :: number_of_numberings
call get_number_of_numberings(number_of_numberings)
end subroutine kim_get_number_of_numberings
!> \brief \copybrief KIM::NUMBERING::GetNumbering
!!
!! \sa KIM::NUMBERING::GetNumbering, KIM_NUMBERING_GetNumbering
!!
!! \since 2.0
recursive subroutine kim_get_numbering(index, numbering, ierr)
implicit none
interface
integer(c_int) recursive function get_numbering(index, numbering) &
bind(c, name="KIM_NUMBERING_GetNumbering")
use, intrinsic :: iso_c_binding
import kim_numbering_type
implicit none
integer(c_int), intent(in), value :: index
type(kim_numbering_type), intent(out) :: numbering
end function get_numbering
end interface
integer(c_int), intent(in) :: index
type(kim_numbering_type), intent(out) :: numbering
integer(c_int), intent(out) :: ierr
ierr = get_numbering(index - 1, numbering)
end subroutine kim_get_numbering
end module kim_numbering_module
|
