Module coarsegrain

Functions

bool

is_coarse_grain(struct)
Check if struct is a coarse grain structure

set_as_coarse_grain(struct)
Mark struct as a coarse grain structure

Variables

_doc__ = '\nUtilities for working with coarse grain structures...

CG_REP_TYPE = 'CG'

REP_TYPE_KEY = 's_matsci_rep_type'

FF_CUTOFF_PROPERTY = 'r_matsci_cg_ff_cutoff_(Ang)'

__package__ = None
hash(x)

Function Details

Check if struct is a coarse grain structure

Parameters:

Returns: bool

True if it is a coarse grain structure, False if not

Mark struct as a coarse grain structure

Parameters:

Variables Details

Value:

'''
Utilities for working with coarse grain structures

Copyright Schrodinger, LLC. All rights reserved.
'''