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ichisize.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 _ICHISIZE_H_
43#define _ICHISIZE_H_
44
45typedef unsigned short AT_NUMB;
46typedef unsigned short AT_RANK;
47#define AT_RANK_MASK ((AT_RANK)~0)
48
49typedef signed short NUM_H;
50#define MAX_ATOMS 32766
51#define NORMALLY_ALLOWED_INP_MAX_ATOMS 1024
52
53
54#define CHAR_MASK 0xFF
55
56
59
60typedef unsigned long INCHI_MODE;
61
62#define LEN_COORD 10
63#define NUM_COORD 3
64typedef char MOL_COORD[LEN_COORD*NUM_COORD + NUM_COORD - 1]; /*copied 30 bytes from MOLfile */
65
66
67#endif /* _ICHISIZE_H_ */
pAT_RANK * ppAT_RANK
Definition ichisize.h:58
unsigned short AT_NUMB
Definition ichisize.h:45
unsigned short AT_RANK
Definition ichisize.h:46
AT_RANK * pAT_RANK
Definition ichisize.h:57
signed short NUM_H
Definition ichisize.h:49
unsigned long INCHI_MODE
Definition ichisize.h:60
char MOL_COORD[LEN_COORD *NUM_COORD+NUM_COORD - 1]
Definition ichisize.h:64
#define LEN_COORD
Definition ichisize.h:62
#define NUM_COORD
Definition ichisize.h:63