third_party/inchi/INCHI_BASE/src/ichiprt1.c
int OutputAUXINFO_ChargesRadicalsAndUnusualValences( CANON_GLOBALS    *pCG,
                                                     INCHI_IOSTREAM   *out_file,
                                                     INCHI_IOS_STRING *strbuf,
                                                     INCHI_OUT_CTL    *io,
                                                     char             *pLF,
                                                     char             *pTAB )
{
    if (!io->bSecondNonTautPass && io->bChargesRadVal[io->iCurTautMode])
    {
        /*  aux equ atoms */
        /* 1. Compare to tautomeric equivalence (in case of second, non-taut, pass only) */
        /* 2. Compare to the previous component if (1) failed to find equivalence */
        szGetTag( AuxLbl, io->nTag, io->bTag1 = AL_CRV_ | io->bFhTag, io->szTag1, &io->bAlways );

        inchi_strbuf_reset( strbuf );
        io->tot_len = 0;

        io->tot_len = str_AuxChargeRadVal( io->pINChISort, strbuf,
                                           &io->bOverflow, io->bOutType, io->TAUT_MODE,
                                           io->num_components, io->bUseMulipliers );

        if (str_LineEnd( io->szTag1, &io->bOverflow, strbuf, -1, io->bPlainTextTags ))
        {
            return 1;
        }

        inchi_ios_print( out_file, "%s%s", strbuf->pStr, pLF );
    }

    return 0;
}
/****************************************************************************
Output AuxInfo: charges, radicals, unusual valences
****************************************************************************/
Output AuxInfo: charges, radicals, unusual valences
Output AuxInfo : charges radicals unusual valences
int OutputAUXINFO_ChargesRadicalsAndUnusualValences( CANON_GLOBALS    *pCG,
                                                     INCHI_IOSTREAM   *out_file,
                                                     INCHI_IOS_STRING *strbuf,
                                                     INCHI_OUT_CTL    *io,
                                                     char             *pLF,
                                                     char             *pTAB )
{
    if (!io->bSecondNonTautPass && io->bChargesRadVal[io->iCurTautMode])
    {
        szGetTag( AuxLbl, io->nTag, io->bTag1 = AL_CRV_ | io->bFhTag, io->szTag1, &io->bAlways );
        inchi_strbuf_reset( strbuf );
        io->tot_len = 0;
        io->tot_len = str_AuxChargeRadVal( io->pINChISort, strbuf,
                                           &io->bOverflow, io->bOutType, io->TAUT_MODE,
                                           io->num_components, io->bUseMulipliers );
        if (str_LineEnd( io->szTag1, &io->bOverflow, strbuf, -1, io->bPlainTextTags ))
        {
            return 1;
        }
        inchi_ios_print( out_file, "%s%s", strbuf->pStr, pLF );
    }
    return 0;
}
int OutputAUXINFO_ChargesRadicalsAndUnusualValences ( CANON_GLOBALS * pCG , INCHI_IOSTREAM * out_file , INCHI_IOS_STRING * strbuf , INCHI_OUT_CTL * io , char * pLF , char * pTAB ) { if ( ! io -> bSecondNonTautPass && io -> bChargesRadVal [ io -> iCurTautMode ] ) { szGetTag ( AuxLbl , io -> nTag , io -> bTag1 = AL_CRV_ | io -> bFhTag , io -> szTag1 , & io -> bAlways ) ; inchi_strbuf_reset ( strbuf ) ; io -> tot_len = 0 ; io -> tot_len = str_AuxChargeRadVal ( io -> pINChISort , strbuf , & io -> bOverflow , io -> bOutType , io -> TAUT_MODE , io -> num_components , io -> bUseMulipliers ) ; if ( str_LineEnd ( io -> szTag1 , & io -> bOverflow , strbuf , -1 , io -> bPlainTextTags ) ) { return 1 ; } inchi_ios_print ( out_file , " " , strbuf -> pStr , pLF ) ; } return 0 ; }
Output AuxInfo: charges, radicals, unusual valences
Output AuxInfo : charges radicals unusual valences
/*  aux equ atoms */ /* 1. Compare to tautomeric equivalence (in case of second, non-taut, pass only) */ /* 2. Compare to the previous component if (1) failed to find equivalence */