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  • Committer: Bazaar Package Importer
  • Author(s): Daniel Leidert (dale)
  • Date: 2009-07-17 00:18:06 UTC
  • mfrom: (6.1.1 sid)
  • Revision ID: james.westby@ubuntu.com-20090717001806-sy3mzs3e1d1adbs9
Tags: 2.2.2-2
http://bugs.debian.org/537102
* debian/control (Uploaders): Removed LI Daobing. Thanks for your work!
  (Standards-Version): Bumped to 3.8.2.
  (Vcs-Svn): Fixed vcs-field-uses-not-recommended-uri-format.
* debian/patches/537102_fix_tr1_memory_detection.patch: Added.
  - configure.in, configure, src/config.h.in: Fix detection of tr1/memory to
    prevent building the package with boost (closes: #537102).

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include/inchi/ichicano.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 1.02-beta
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 * August 23, 2007
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 * Developed at NIST
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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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 * you can redistribute this software and/or modify it under the terms of 
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 * the GNU Lesser General Public License as published by the Free Software 
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 * Foundation:
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 * http://www.opensource.org/licenses/lgpl-license.php
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 */
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#ifndef __INCHICANO_H__
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#define __INCHICANO_H__
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#ifndef INCHI_ALL_CPP
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#ifdef __cplusplus
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extern "C" {
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#endif
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#endif
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int GetCanonLengths( int num_at,  sp_ATOM* at, ATOM_SIZES *s, T_GROUP_INFO *t_group_info );
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int AllocateCS( CANON_STAT *pCS, int num_at, int num_at_tg, int nLenCT, int nLenCTAtOnly,
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                     int nLenLinearCTStereoDble, int nLenLinearCTIsotopicStereoDble,
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                     int nLenLinearCTStereoCarb, int nLenLinearCTIsotopicStereoCarb,
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                     int nLenLinearCTTautomer, int nLenLinearCTIsotopicTautomer,
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                     int nLenIsotopic, INCHI_MODE nMode, BCN *pBCN );
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int DeAllocateCS( CANON_STAT *pCS );
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void DeAllocBCN( BCN *pBCN );
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int Canon_INChI(  int num_atoms, int num_at_tg, sp_ATOM* at, CANON_STAT* pCS, INCHI_MODE nMode, int bTautFtcn);
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int GetBaseCanonRanking( int num_atoms, int num_at_tg, sp_ATOM* at[],
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                         T_GROUP_INFO *t_group_info, ATOM_SIZES s[], BCN *pBCN, struct tagInchiTime *ulTimeOutTime );
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int bCanonIsFinerThanEquitablePartition( int num_atoms, sp_ATOM* at, AT_RANK *nSymmRank );
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int UpdateFullLinearCT( int num_atoms, int num_at_tg, sp_ATOM* at, AT_RANK *nRank, AT_RANK *nAtomNumber,
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                        CANON_STAT* pCS, int bFirstTime );
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int FixCanonEquivalenceInfo( int num_at_tg, AT_RANK *nSymmRank, AT_RANK *nCurrRank,
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                             AT_RANK *nTempRank, AT_NUMB *nAtomNumber, int *bChanged);
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#ifndef INCHI_ALL_CPP
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#ifdef __cplusplus
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}
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#endif
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#endif
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#endif /* __INCHICANO_H__ */