stko.ShapeResults

class stko.ShapeResults(generator)[source]

Bases: object

Results class containing molecule shape measures.

Methods

`get_asphericity`
`get_eccentricity`
`get_inertial_shape_factor`
`get_npr1`
`get_npr2`
`get_pmi1`
`get_pmi2`
`get_pmi3`
`get_radius_of_gyration`
`get_spherocity_index`

Parameters:: generator (Iterable)

get_asphericity()[source]

Return type:: float

get_eccentricity()[source]

Return type:: float

get_inertial_shape_factor()[source]

Return type:: float

get_npr1()[source]

Return type:: float

get_npr2()[source]

Return type:: float

get_pmi1()[source]

Return type:: float

get_pmi2()[source]

Return type:: float

get_pmi3()[source]

Return type:: float

get_radius_of_gyration()[source]

Return type:: float

get_spherocity_index()[source]

Return type:: float