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ichisize.h
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/*
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* International Chemical Identifier (InChI)
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* Version 1
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* Software version 1.07
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* April 30, 2024
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*
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* MIT License
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*
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* Copyright (c) 2024 IUPAC and InChI Trust
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*
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* Permission is hereby granted, free of charge, to any person obtaining a copy
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* of this software and associated documentation files (the "Software"), to deal
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* in the Software without restriction, including without limitation the rights
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* to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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* copies of the Software, and to permit persons to whom the Software is
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* furnished to do so, subject to the following conditions:
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*
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* The above copyright notice and this permission notice shall be included in all
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* copies or substantial portions of the Software.
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*
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* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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* AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
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* LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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* OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
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* SOFTWARE.
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*
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* The InChI library and programs are free software developed under the
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* auspices of the International Union of Pure and Applied Chemistry (IUPAC).
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* Originally developed at NIST.
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* Modifications and additions by IUPAC and the InChI Trust.
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* Some portions of code were developed/changed by external contributors
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* (either contractor or volunteer) which are listed in the file
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* 'External-contributors' included in this distribution.
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*
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* info@inchi-trust.org
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*
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*/
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#ifndef _ICHISIZE_H_
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#define _ICHISIZE_H_
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typedef
unsigned
short
AT_NUMB
;
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typedef
unsigned
short
AT_RANK
;
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#define AT_RANK_MASK ((AT_RANK)~0)
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typedef
signed
short
NUM_H
;
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#define MAX_ATOMS 32766
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#define NORMALLY_ALLOWED_INP_MAX_ATOMS 1024
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#define CHAR_MASK 0xFF
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typedef
AT_RANK
*
pAT_RANK
;
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typedef
pAT_RANK
*
ppAT_RANK
;
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typedef
unsigned
long
INCHI_MODE
;
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#define LEN_COORD 10
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#define NUM_COORD 3
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typedef
char
MOL_COORD
[
LEN_COORD
*
NUM_COORD
+
NUM_COORD
- 1];
/*copied 30 bytes from MOLfile */
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#endif
/* _ICHISIZE_H_ */
ppAT_RANK
pAT_RANK * ppAT_RANK
Definition
ichisize.h:58
AT_NUMB
unsigned short AT_NUMB
Definition
ichisize.h:45
AT_RANK
unsigned short AT_RANK
Definition
ichisize.h:46
pAT_RANK
AT_RANK * pAT_RANK
Definition
ichisize.h:57
NUM_H
signed short NUM_H
Definition
ichisize.h:49
INCHI_MODE
unsigned long INCHI_MODE
Definition
ichisize.h:60
MOL_COORD
char MOL_COORD[LEN_COORD *NUM_COORD+NUM_COORD - 1]
Definition
ichisize.h:64
LEN_COORD
#define LEN_COORD
Definition
ichisize.h:62
NUM_COORD
#define NUM_COORD
Definition
ichisize.h:63
INCHI-1-SRC
INCHI_BASE
src
ichisize.h
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