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  • Committer: Bazaar Package Importer
  • Author(s): Michael Banck
  • Date: 2008-07-22 23:54:58 UTC
  • mfrom: (3.1.10 intrepid)
  • Revision ID: james.westby@ubuntu.com-20080722235458-3o606czluviz4akx
Tags: 2.2.0-2
* Upload to unstable.
* debian/control: Updated descriptions.
* debian/patches/gauss_cube_format.patch: New patch, makes the 
  gaussian cube format available again.
* debian/rules (DEB_DH_MAKESHLIBS_ARGS_libopenbabel3): Removed.
* debian/rules (DEB_CONFIGURE_EXTRA_FLAGS): Likewise.
* debian/libopenbabel3.install: Adjust formats directory to single 
  version hierarchy.

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src/formats/inchi/ichirvr2.c
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/*
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 * International Union of Pure and Applied Chemistry (IUPAC)
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 * International Chemical Identifier (InChI)
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 * Version 1
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 * Software version 1.01
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 * May 16, 2006
 
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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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#include <stdio.h>
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#include <stdlib.h>
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#include <string.h>
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/*^^^ */
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/*#define CHECK_WIN32_VC_HEAP*/
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#include "mode.h"
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#include "inpdef.h"
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#include "ichimain.h"
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#include "ichierr.h"
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#include "comdef.h"
 
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#include "incomdef.h" 
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#include "ichiring.h"
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#include "extr_ct.h"
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#include "ichitaut.h"
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    return 0;
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}
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#if( BNS_RAD_SEARCH == 1 )
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/******************************************************************************************************/
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int MoveRadToAtomsAddCharges( BN_STRUCT *pBNS, BN_DATA *pBD, StrFromINChI *pStruct,
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                    inp_ATOM *at, inp_ATOM *at2, VAL_AT *pVA, ALL_TC_GROUPS *pTCGroups, int forbidden_mask )
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    }
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    return ret;
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}
 
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#endif
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/**************************************************************************************************/
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typedef struct tagMobileHGroups {
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    AT_NUMB group_number;
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            goto exit_function;
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        }
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#if( FIND_RING_SYSTEMS == 1 )
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        ret2 = MarkRingSystemsInp( at2, num_at );
 
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        ret2 = MarkRingSystemsInp( at2, num_at, 0 );
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        if ( ret2 < 0 ) {
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            ret = ret2;
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            goto exit_function;