1 /* 2 * International Chemical Identifier (InChI) 3 * Version 1 4 * Software version 1.04 5 * September 9, 2011 6 * 7 * The InChI library and programs are free software developed under the 8 * auspices of the International Union of Pure and Applied Chemistry (IUPAC). 9 * Originally developed at NIST. Modifications and additions by IUPAC 10 * and the InChI Trust. 11 * 12 * IUPAC/InChI-Trust Licence for the International Chemical Identifier (InChI) 13 * Software version 1.0. 14 * Copyright (C) IUPAC and InChI Trust Limited 15 * 16 * This library is free software; you can redistribute it and/or modify it under the 17 * terms of the IUPAC/InChI Trust Licence for the International Chemical Identifier 18 * (InChI) Software version 1.0; either version 1.0 of the License, or 19 * (at your option) any later version. 20 * 21 * This library is distributed in the hope that it will be useful, 22 * but WITHOUT ANY WARRANTY; without even the implied warranty of 23 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. 24 * See the IUPAC/InChI Trust Licence for the International Chemical Identifier (InChI) 25 * Software version 1.0 for more details. 26 * 27 * You should have received a copy of the IUPAC/InChI Trust Licence for the 28 * International Chemical Identifier (InChI) Software version 1.0 along with 29 * this library; if not, write to: 30 * 31 * The InChI Trust 32 * c/o FIZ CHEMIE Berlin 33 * Franklinstrasse 11 34 * 10587 Berlin 35 * GERMANY 36 * 37 */ 38 39 40 #ifndef ___INCHISIZE_H__ 41 #define ___INCHISIZE_H__ 42 43 typedef unsigned short AT_NUMB; 44 typedef unsigned short AT_RANK; 45 #define AT_RANK_MASK ((AT_RANK)~0) 46 47 typedef signed short NUM_H; 48 #define MAX_ATOMS 65534 49 50 51 #define CHAR_MASK 0xFF 52 53 54 typedef AT_RANK *pAT_RANK; 55 typedef pAT_RANK *ppAT_RANK; 56 57 typedef unsigned long INCHI_MODE; 58 59 #define LEN_COORD 10 60 #define NUM_COORD 3 61 typedef char MOL_COORD[LEN_COORD*NUM_COORD + NUM_COORD-1]; /*copied 30 bytes from MOLfile */ 62 63 64 #endif /* ___INCHISIZE_H__ */ 65 66