edu.duke.cs.osprey/edu.duke.cs.osprey.gui.prep/BondGuesser

BondGuesser

class BondGuesser(tolerance: Double, minDist: Double, elementProps: EnumMap<Element, BondGuesser.ElementProps>)
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Types

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data class Bond(a1: Atom, a2: Atom)
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object Companion
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data class ElementProps(bondRadius: Double, maxValence: Int)
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Functions

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fun getProps(atom: Atom): BondGuesser.ElementProps
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fun getProps(element: Element): BondGuesser.ElementProps
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Properties

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val elementProps: EnumMap<Element, BondGuesser.ElementProps>
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val minDist: Double
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val minDistSq: Double
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val tolerance: Double
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