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ichiring.h
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1/*
2 * International Chemical Identifier (InChI)
3 * Version 1
4 * Software version 1.07
5 * April 30, 2024
6 *
7 * MIT License
8 *
9 * Copyright (c) 2024 IUPAC and InChI Trust
10 *
11 * Permission is hereby granted, free of charge, to any person obtaining a copy
12 * of this software and associated documentation files (the "Software"), to deal
13 * in the Software without restriction, including without limitation the rights
14 * to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
15 * copies of the Software, and to permit persons to whom the Software is
16 * furnished to do so, subject to the following conditions:
17 *
18 * The above copyright notice and this permission notice shall be included in all
19 * copies or substantial portions of the Software.
20 *
21 * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
22 * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
23 * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
24 * AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
25 * LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
26 * OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
27 * SOFTWARE.
28*
29* The InChI library and programs are free software developed under the
30 * auspices of the International Union of Pure and Applied Chemistry (IUPAC).
31 * Originally developed at NIST.
32 * Modifications and additions by IUPAC and the InChI Trust.
33 * Some portions of code were developed/changed by external contributors
34 * (either contractor or volunteer) which are listed in the file
35 * 'External-contributors' included in this distribution.
36 *
37 * info@inchi-trust.org
38 *
39*/
40
41
42#ifndef _INCHIRING_H_
43#define _INCHIRING_H_
44
45#include "extr_ct.h"
46
47#define QUEUE_QINT 1
48typedef AT_RANK qInt; /* queue optimization: known type */
49
50#if ( QUEUE_QINT == 1 )
51#define QINT_TYPE qInt
52#else
53#define QINT_TYPE void
54#endif
55
56typedef struct tagQieue {
59 int nFirst; /* element to remove if nLength > 0 */
60 int nLength; /* (nFirst + nLength) is next free position */
61#if ( QUEUE_QINT != 1 )
62 int nSize;
63#endif
65
66#ifndef COMPILE_ALL_CPP
67#ifdef __cplusplus
68extern "C" {
69#endif
70#endif
71
72 QUEUE *QueueCreate( int nTotLength, int nSize );
73 QUEUE *QueueDelete( QUEUE *q );
74 int is_bond_in_Nmax_memb_ring( inp_ATOM* atom, int at_no, int neigh_ord, QUEUE *q, AT_RANK *nAtomLevel, S_CHAR *cSource, AT_RANK nMaxRingSize );
75 int is_atom_in_3memb_ring( inp_ATOM* atom, int at_no );
76
77#ifndef COMPILE_ALL_CPP
78#ifdef __cplusplus
79}
80#endif
81#endif
82
83
84#endif /* _INCHIRING_H_ */
int is_atom_in_3memb_ring(inp_ATOM *atom, int at_no)
Definition ichiring.c:420
QUEUE * QueueCreate(int nTotLength, int nSize)
Definition ichiring.c:67
QUEUE * QueueDelete(QUEUE *q)
Definition ichiring.c:203
#define QINT_TYPE
Definition ichiring.h:51
AT_RANK qInt
Definition ichiring.h:48
struct tagQieue QUEUE
int is_bond_in_Nmax_memb_ring(inp_ATOM *atom, int at_no, int neigh_ord, QUEUE *q, AT_RANK *nAtomLevel, S_CHAR *cSource, AT_RANK nMaxRingSize)
Definition ichiring.c:362
unsigned short AT_RANK
Definition ichisize.h:46
signed char S_CHAR
Definition inchi_api.h:113
Definition inpdef.h:110
Definition ichiring.h:56
int nLength
Definition ichiring.h:60
int nFirst
Definition ichiring.h:59
QINT_TYPE * Val
Definition ichiring.h:57
int nTotLength
Definition ichiring.h:58