Analysis
========

Geometry
--------

To analyse the geometry of CG molecules (including size and pore metrics),
see:

- :doc:`GeomMeasure <_autosummary/cgexplore.analysis.GeomMeasure>`

Shape
-----

We have a series of functions (moving into one class
:class:`cgexplore.analysing.ShapeMeasure`) for interfacing with
`Shape <https://www.iqtc.ub.edu/uncategorised/program-for-the-stereochemical-analysis-of-molecular-fragments-by-means-of-continous-shape-measures-and-associated-tools/>`_.
I recommend using what is in this class:

- :doc:`ShapeMeasure <_autosummary/cgexplore.analysis.ShapeMeasure>`

Utility functions:

- :doc:`known_shape_vectors <_autosummary/cgexplore.analysis.known_shape_vectors>`