Chemistry-OpenSMILES

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t/02_chains.t  view on Meta::CPAN

my %cases = (
    'CC'    => [ 2, 1 ],
    'CCO'   => [ 3, 2 ],
    'NCCCC' => [ 5, 4 ],
    'CCCCN' => [ 5, 4 ],

    'C=C'   => [ 2, 1 ],
    'C#N'   => [ 2, 1 ],
    'CC#CC' => [ 4, 3 ],
    'CCC=O' => [ 4, 3 ],
    '[Rh-](Cl)(Cl)(Cl)(Cl)$[Rh-](Cl)(Cl)(Cl)Cl' => [ 10, 9 ],

    'C-C' => [ 2, 1 ],

    'CCC(CC)CO'           => [  7,  6 ],
    'CC(C)C(=O)C(C)C'     => [  8,  7 ],
    'OCC(CCC)C(C(C)C)CCC' => [ 13, 12 ],
    'OS(=O)(=S)O'         => [  5,  4 ],
    'C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C))))))))))))))))))))C' => [ 22, 21 ],

    'C1CCCCC1'          => [  6,  6 ],



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