pairs

This is summary documentation for hippynn.graphs.nodes.pairs module. Click here for full documentation.

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Nodes for finding and manipulating pairs and distances.

Classes

DynamicPeriodicPairs(name, parents, ...[, ...])	Node for finding pairs in arbitrary periodic boundary conditions.
ExternalNeighborIndexer(name, parents, ...)
KDTreePairs(name, parents, dist_hard_max[, ...])	Node for finding pairs under periodic boundary conditions using Scipy's KD Tree algorithm.
KDTreePairsMemory(name, parents, ...[, ...])	Implementation of KDTreePairs with an added memory component.
Memory()
MinDistNode(name, parents[, module])
NumpyDynamicPairs(name, parents, dist_hard_max)
OpenPairIndexer(name, parents, dist_hard_max)
PaddedNeighborNode(name, parents[, module])
PairCacher(name, parents[, module, ...])
PairDeIndexer(name, parents[, module])	For converting from IdxType.Pairs to IdxType.MolAtomAtom (Padded form)
PairFilter(name, parents, dist_hard_max[, ...])
PairReIndexer(name, parents[, module])	For re-using index information to convert from IdxType.MolAtomAtom -> IdxType.Pairs
PairUncacher(name, parents, dist_hard_max[, ...])
PeriodicPairIndexer(name, parents, dist_hard_max)
PeriodicPairIndexerMemory(name, parents, ...)	Implementation of PeriodicPairIndexer with additional memory component.
PeriodicPairOutputs()
RDFBins(name, parents[, module, bins, ...])