summaryrefslogtreecommitdiff
path: root/mmdb2/mmdb_ficif.h
blob: 7347f382297ab7f5c206029ae3c0c8b0b846b419 (plain)
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
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
//  $Id: mmdb_ficif.h $
//  =================================================================
//
//   CCP4 Coordinate Library: support of coordinate-related
//   functionality in protein crystallography applications.
//
//   Copyright (C) Eugene Krissinel 2000-2008.
//
//    This library is free software: you can redistribute it and/or
//    modify it under the terms of the GNU Lesser General Public
//    License version 3, modified in accordance with the provisions
//    of the license to address the requirements of UK law.
//
//    You should have received a copy of the modified GNU Lesser
//    General Public License along with this library. If not, copies
//    may be downloaded from http://www.ccp4.ac.uk/ccp4license.php
//
//    This program 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.
//
//  =================================================================
//
//    12.09.13   <--  Date of Last Modification.
//                   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~
//  -----------------------------------------------------------------
//
//  **** Module  :  MMDB_FICIF <interface>
//       ~~~~~~~~~
//  **** Project :  MacroMolecular Data Base (MMDB)
//       ~~~~~~~~~
//  **** Classes :
//       ~~~~~~~~~
//
//  (C) E. Krissinel 2000-2013
//
//  =================================================================
//

#ifndef __MMDB_FICIF__
#define __MMDB_FICIF__

#include "mmdb_machine_.h"

using namespace mmdb;
using namespace mmdb::machine;

//  ====================  FORTRAN INTERFACE  ========================

FORTRAN_SUBR ( MMDB_FCIF_INIT, mmdb_fcif_init,(),(),() );

FORTRAN_SUBR ( MMDB_FCIF_QUIT, mmdb_fcif_quit,(),(),() );

FORTRAN_SUBR ( MMDB_FCIF_CREATE, mmdb_fcif_create,
               (    // lengths-at-end list
                fpstr DataName,     // file name
                int   DataName_len  // fortran-hidden length of DataName
               ), ( // lengths-in-structure list
                fpstr DataName
               ), ( // lengths-follow list
                fpstr DataName, int DataName_len
               ) );

FORTRAN_SUBR ( MMDB_FCIF_WRITE, mmdb_fcif_write,
               (    // lengths-at-end list
                fpstr FileName,     // file name
                int * iRet,         // return code
                int   FileName_len  // fortran-hidden length of FileName
               ), ( // lengths-in-structure list
    fpstr FileName, int *iRet
               ), ( // lengths-follow list
    fpstr FileName, int FileName_len, int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTDATE, mmdb_fcif_putdate,
               (    // lengths-at-end list
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * iRet,        // return code
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                fpstr CatName, fpstr Tag, int * iRet
               ), ( // lengths-follow list
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTDOT, mmdb_fcif_putdot,
               (    // lengths-at-end list
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * iRet,        // return code
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                fpstr CatName, fpstr Tag, int * iRet
               ), ( // lengths-follow list
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTQUESTION, mmdb_fcif_putquestion,
               (    // lengths-at-end list
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * iRet,        // return code
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                fpstr CatName, fpstr Tag, int * iRet
               ), ( // lengths-follow list
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTSTRING, mmdb_fcif_putstring,
               (    // lengths-at-end list
                fpstr Data,        // data string to store
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * iRet,        // return code
                int   Data_len,    // fortran-hidden length of Data
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                fpstr Data, fpstr CatName, fpstr Tag, int * iRet
               ), ( // lengths-follow list
    fpstr Data,    int Data_len,
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTREAL, mmdb_fcif_putreal,
               (    // lengths-at-end list
                apireal * V,       // real value to store
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * iRet,        // return code
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                apireal * V, fpstr CatName, fpstr Tag, int * iRet
               ), ( // lengths-follow list
    apireal * V,
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTINTEGER, mmdb_fcif_putinteger,
               (    // lengths-at-end list
                int * I,           // integer value to store
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * iRet,        // return code
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                int * I, fpstr CatName, fpstr Tag, int * iRet
               ), ( // lengths-follow list
    int * I,
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTLOOPDOT, mmdb_fcif_putloopdot,
               (    // lengths-at-end list
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * nrow,        // row number
                int * iRet,        // return code
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                fpstr CatName, fpstr Tag, int * nrow, int * iRet
               ), ( // lengths-follow list
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * nrow,    int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTLOOPQUESTION, mmdb_fcif_putloopquestion,
               (    // lengths-at-end list
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * nrow,        // row number
                int * iRet,        // return code
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                fpstr CatName, fpstr Tag, int * nrow, int * iRet
               ), ( // lengths-follow list
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * nrow,    int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTLOOPSTRING, mmdb_fcif_putloopstring,
               (    // lengths-at-end list
                fpstr Data,        // data string to store
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * nrow,        // row number
                int * iRet,        // return code
                int   Data_len,    // fortran-hidden length of Data
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                fpstr Data, fpstr CatName, fpstr Tag,
                int * nrow, int * iRet
               ), ( // lengths-follow list
    fpstr Data,    int Data_len,
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * nrow,    int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTLOOPREAL, mmdb_fcif_putloopreal,
               (    // lengths-at-end list
                apireal * V,       // real value to store
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * nrow,        // row number
                int * iRet,        // return code
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                apireal * V, fpstr CatName, fpstr Tag,
                int * nrow, int * iRet
               ), ( // lengths-follow list
    apireal * V,
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * nrow,    int * iRet
               ) );

FORTRAN_SUBR ( MMDB_FCIF_PUTLOOPINTEGER, mmdb_fcif_putloopinteger,
               (    // lengths-at-end list
                int * I,           // integer value to store
                fpstr CatName,     // category name
                fpstr Tag,         // tag
                int * nrow,        // row number
                int * iRet,        // return code
                int   CatName_len, // fortran-hidden length of CatName
                int   Tag_len      // fortran-hidden length of Tag
               ), ( // lengths-in-structure list
                int * I, fpstr CatName, fpstr Tag,
                int * nrow, int * iRet
               ), ( // lengths-follow list
                int * I,
                fpstr CatName, int CatName_len,
                fpstr Tag,     int Tag_len,
                int * nrow,    int * iRet
               ) );




//  ====================  C INTERFACE  ========================

extern "C" void MMDB_CCIF_Init();
extern "C" void MMDB_CCIF_Quit();
extern "C" void MMDB_CCIF_Create      ( pstr DataName );
extern "C" int  MMDB_CCIF_Write       ( pstr FileName );
extern "C" int  MMDB_CCIF_PutDate     ( pstr CatName, pstr Tag );
extern "C" int  MMDB_CCIF_PutDot      ( pstr CatName, pstr Tag );
extern "C" int  MMDB_CCIF_PutQuestion ( pstr CatName, pstr Tag );
extern "C" int  MMDB_CCIF_PutString   ( pstr  Data, pstr CatName, pstr Tag );
extern "C" int  MMDB_CCIF_PutReal     ( realtype V, pstr CatName, pstr Tag );
extern "C" int  MMDB_CCIF_PutInteger  ( int      I, pstr CatName, pstr Tag );
extern "C" int  MMDB_CCIF_PutLoopDot      ( pstr CatName, pstr Tag, int nrow );
extern "C" int  MMDB_CCIF_PutLoopQuestion ( pstr CatName, pstr Tag, int nrow );
extern "C" int  MMDB_CCIF_PutLoopString   ( pstr  Data, pstr CatName,
                                                        pstr Tag, int nrow );
extern "C" int  MMDB_CCIF_PutLoopReal     ( realtype V, pstr CatName,
                                                        pstr Tag, int nrow );
extern "C" int MMDB_CCIF_PutLoopInteger   ( int      I, pstr CatName,
                                                        pstr Tag, int nrow );

#endif