edu.duke.cs.osprey/edu.duke.cs.osprey.gui.compiler/ConfSpaceParams

ConfSpaceParams

class ConfSpaceParams(index: ConfSpaceIndex)
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A convenient place to store molecule forcefield parameterizations for an indexed conformation space

Constructors

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fun ConfSpaceParams(index: ConfSpaceIndex)
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Functions

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operator fun get(ff: ForcefieldParams, fragInfo: ConfSpaceIndex.FragInfo): ForcefieldParams.AtomsParams
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operator fun get(ff: ForcefieldParams, moli: Int): ForcefieldParams.AtomsParams
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operator fun set(ff: ForcefieldParams, fragInfo: ConfSpaceIndex.FragInfo, params: ForcefieldParams.AtomsParams)
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operator fun set(ff: ForcefieldParams, moli: Int, params: ForcefieldParams.AtomsParams)
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Properties

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val index: ConfSpaceIndex
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