process_bead_data

despasito.input_output.read_input.process_bead_data

process_bead_data(bead_data)[source]

Process system information from input file.

Parameters:

bead_data (list[list]) – List of molecules in the system. Each molecule is represented as a list of beads and each bead is represented as a list with the bead name followed by an integer with the number of beads in that molecule.

Returns:

beads (list[str]) – List of unique bead names used among components
molecular_composition (numpy.ndarray) – Array of number of components by number of bead types. Defines the number of each type of group in each component.