Exemple #1
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def opls_771(atom):
    """propylene carbonate O """
    if dioxolane13(atom.bond_partners[0]):
        for neighbors_neighbor in atom.bond_partners[0].bond_partners:
            if neighbors_neighbor.name != 'O':
                return False
        else:
            return True
    return False
Exemple #2
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def opls_771(atom):
    """propylene carbonate O """
    if dioxolane13(atom.neighbors[0]):
        for neighbors_neighbor in atom.neighbors[0].neighbors:
            if neighbors_neighbor.name != 'O':
                return False
        else:
            return True
    return False
Exemple #3
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def opls_774(atom):
    """propylene carbonate C in CH2 """
    return dioxolane13(atom)
Exemple #4
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def opls_773(atom):
    """propylene carbonate OS """
    return dioxolane13(atom)
Exemple #5
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def opls_772(atom):
    """propylene carbonate C=O """
    return dioxolane13(atom)
Exemple #6
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def opls_774(atom):
    """propylene carbonate C in CH2 """
    return dioxolane13(atom)
Exemple #7
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def opls_773(atom):
    """propylene carbonate OS """
    return dioxolane13(atom)
Exemple #8
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def opls_772(atom):
    """propylene carbonate C=O """
    return dioxolane13(atom)