cgexplore.molecular.BeadLibrary¶

class cgexplore.molecular.BeadLibrary(beads)[source]¶

Define a library of beads used in a model.

Methods

`from_bead_types`	Create a BeadLibrary from a dictionary of bead types.
`get_from_class`	Get CgBead from matching to bead class.
`get_from_element`	Get CgBead from matching to element string.
`get_from_type`	Get CgBead from matching to bead type.
`get_present_beads`	Get a list of present beads.

classmethod from_bead_types(bead_types)[source]¶

Create a BeadLibrary from a dictionary of bead types.

Parameters:: bead_types (dict[str, int]) – Dictionary mapping between bead types (user nomenclature) and their expected coordination.
Return type:: Self

get_from_class(bead_class)[source]¶

Get CgBead from matching to bead class.

get_from_element(estring)[source]¶

Get CgBead from matching to element string.

get_from_type(bead_type)[source]¶

Get CgBead from matching to bead type.

get_present_beads()[source]¶

Get a list of present beads.