mol
fun molPairs(infos: List<AtomPairer.MolInfo>): List<AtomPairer.MolPairInfo>
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get all unique pairs of molecules
fun molPairs(infos1: List<AtomPairer.MolInfo>, infos2: List<AtomPairer.MolInfo>): List<AtomPairer.MolPairInfo>
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get all unique pairs of molecules, the atoms of infos1 and infos2 must not overlap