edu.duke.cs.osprey/edu.duke.cs.osprey.gui.forcefield

Package edu.duke.cs.osprey.gui.forcefield

Types

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class AtomIndex
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An bijection between a set of atoms and a set of integers. The integers need not be contiguous.

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object AtomPairer
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typealias FfparamsPairFunc = (info1: AtomPairer.MolInfo, atomi1: Int, info2: AtomPairer.MolInfo, atomi2: Int, distance: Int?) -> Unit
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interface Forcefield
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object ForcefieldCalculator
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interface ForcefieldParams
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class ForcefieldSet : List<ForcefieldParams>
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preserves add order though

Functions

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fun List<ForcefieldParams>.unconnectedDistance(): Int
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