molecule.plot_multiple_isodensities

molecule.plot_multiple_isodensities(range_files, plotted_isodensity='cube', delimiter=' ', opacity=0.8, factor=1, with_radius=True, opacity_radius=1, factor_radius=.3, cutoff=.2, screenshot_button=True, window_size_screenshot=(1000, 1000))

Plot multiple isodensities, each one can be selected using a slider. The delimiter is replaced in the name file by number in the range_file to load multiple files Only one delimiter should be used in the base_name_file

Parameters:

• base_name_file (str) – The base name of the files. If one wants to view files called H2CO.mo0a.cube, H2CO.mo1a.cube … One should set the base_name_file as H2CO.mo&a.cube

• list_files (tuple) – The list of strings to replace the delimiter with

• plotted_isodensity (str, optional) – The isodensity to be plotted. By default “cube”

• delimiter (str, optional) – The

• opacity (float, optional) – The opacity of the plot. By default equals to 1

• factor (float, optional) – The factor by which the plotted_property will be multiplied. By default equals to 1

• with_radius (bool, optional) – Chose to show the radius and the bonds between the atoms or not. By default True

• opacity_radius (float, optional) – The opacity of the radius plot. By default .8

• factor_radius (float, optional) – The factor by which the radius will be multiplied. By default .3

• cutoff (float, optional) – The initial cutoff of the isodensity plot. By default .2

• screenshot_button (bool, optional) – Adds a screenshot button. True by default

• window_size_screenshot (tuple, optional) – The size of the screenshots. By default (1000,1000)

Returns:

None – The plotter should display when using this function