예제 #1
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def bond_stereo_parities(sgr):
    """ bond parities, as a dictionary
    """
    return mdict.by_key_by_position(bonds(sgr), bond_keys(sgr),
                                    BND_STE_PAR_POS)
예제 #2
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def bond_orders(rgr):
    """ bond orders, as a dictionary
    """
    return mdict.by_key_by_position(bonds(rgr), bond_keys(rgr), BND_ORD_POS)
예제 #3
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def atom_implicit_hydrogen_valences(xgr):
    """ atom implicit hydrogen valences, as a dictionary
    """
    return mdict.by_key_by_position(atoms(xgr), atom_keys(xgr),
                                    ATM_IMP_HYD_VLC_POS)
예제 #4
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def atom_stereo_parities(sgr):
    """ atom parities, as a dictionary
    """
    return mdict.by_key_by_position(atoms(sgr), atom_keys(sgr),
                                    ATM_STE_PAR_POS)
예제 #5
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def atom_symbols(xgr):
    """ atom symbols, as a dictionary
    """
    return mdict.by_key_by_position(atoms(xgr), atom_keys(xgr), ATM_SYM_POS)