Batch Modeling

Batch modeling refers to running a series of modeling and analysis operations in consecutive order. Afterwards, output data are compiled into a separate report. Currently, this operation in only available for uniform structures.

Batch Modeling using the GUI

Definition of a batch modeling job is similar to a single analysis discussed in Defining Unit Cells. After Modeling Mode is set to Uniform (Batch), the only differences are:

  • Instead of a structure name, a structure prefix is input. The number unit cell ID (see below) will then be appended to the prefix to form structure name.

  • Unit cell parameters pop-up window shows a table for entering the parameters. This is discussed in Defining Unit Cells. Here, each row is used for a separate analysis and its number (and name) is equal to unit cell ID of that row.

  • After all analyses are complete, the results are compiled automatically. See #TODO for more information.

Batch Modeling using the API

First, structure_prefix and unit_cell_params_list must be defined. For example:

## Define structure_prefix.
structure_prefix = 'unnamed'

## Define unit_cell_params_list.
# Define three unit cells for a batch of uniform structures.
# Note that the first argument (id) is unique for each unit cell.
unit_cell_params_list = []
# (id, extrusion_depth, horz_bounding_box, vert_bounding_box,
#  vert_strut_thickness, diag_strut_thickness, diag_strut_angle)
unit_cell_params_list.append( Reentrant2DUcpBox(1, 5, 20, 24, 3.0, 1.5, 60) )
unit_cell_params_list.append( Reentrant2DUcpBox(2, 5, 20, 24, 3.0, 1.5, 60) )
unit_cell_params_list.append( Reentrant2DUcpBox(3, 5, 20, 24, 2.0, 1.5, 60) )

# structures will be named 'unnamed-001', 'unnamed-003', and 'unnamed-003'.

Afterwards, the pyauxetic.main.main_batch() function is called for analysis. See #TODO for more information.