Uses of Class
ffx.potential.cli.TopologyOptions
Packages that use TopologyOptions
Package
Description
The Algorithms CLI package defines options for PicoCLI command line scripts.
The Potential CLI package defines reusable options for PicoCLI command line scripts.
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Uses of TopologyOptions in ffx.algorithms.cli
Methods in ffx.algorithms.cli with parameters of type TopologyOptionsModifier and TypeMethodDescriptionMultiDynamicsOptions.openFile
(AlgorithmFunctions algorithmFunctions, TopologyOptions topologyOptions, int threadsPer, String toOpen, int topNum, AlchemicalOptions alchemicalOptions, File structureFile, int rank) Opens a file and processes it. -
Uses of TopologyOptions in ffx.potential.cli
Methods in ffx.potential.cli with parameters of type TopologyOptionsModifier and TypeMethodDescriptionAlchemicalOptions.openFile
(PotentialsFunctions potentialFunctions, TopologyOptions topologyOptions, int threadsPer, String toOpen, int topNum) Opens a File to a MolecularAssembly for alchemistry.AlchemicalOptions.processFile
(TopologyOptions topologyOptions, MolecularAssembly molecularAssembly, int topNum) Performs processing on a MolecularAssembly for alchemistry.