Class OrderParameter

Create an instance.

Parameters:

• cms_file (str) - the .cms file for the simulation on which to run the order parameter analysis (can be a path)
• director_abc_coeffs (tuple) - coefficients of the static reference director vector in the lattice vector basis, for example (0, 0, 1) for the c-lattice vector or z-axis of a cubic cell
• descriptors_file (str) - .json file containing specifications for descriptors, i.e. ways to determine vectors used in computing the order parameters with respect to the director, a specification includes information like name, group, ASL, type, and SMARTS (can be a path) (see get_descriptors_from_file for more information)
• logger (logging.Logger or None) - output logger or None if there isn't one

Overrides: object.__init__

Return the unit director vector object for the given cms (in Angstrom).

Parameters:

• cms_obj (schrodinger.application.desmond.cms.Cms) - the cms object
• director_abc_coeffs (tuple) - coefficients of the static reference director vector in the lattice vector basis, for example (0, 0, 1) for the c-lattice vector or z-axis of a cubic cell

Returns: Director

the unit director vector object