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Extend a Parameter Values Building Block (BB) with local molecule parameters for molecules from a molecules BB in all physical containers of a spatial structure BB.

Source: R/utilities-building-block.R
addLocalMoleculeParameters.Rd

Existing entries will not be overwritten.

Usage

addLocalMoleculeParameters(
  parameterValuesBuildingBlock,
  spatialStructureBB,
  moleculesBB,
  moleculeNames = NULL
)

Arguments

parameterValuesBuildingBlock

A BuildingBlock object of type Parameter Values.

spatialStructureBB

A BuildingBlock object of type Spatial Structure. Entries will be created for local parameters of the selected molecules in all physical containers of this spatial structure.

moleculesBB

A BuildingBlock object of type Molecules. The entries will be created for all molecules from this building block, or for a subset of molecules defined in the moleculeNames argument.

moleculeNames

Optional list of molecule names. If provided, only the molecules with these names will be added to the parameterValuesBuildingBlock.

Value

Path of entries added to the building block.