cgexplore.terms.TargetMartiniTorsion¶

class cgexplore.terms.TargetMartiniTorsion(search_string, search_estring, measured_atom_ids, phi0, torsion_k, torsion_n, funct)[source]¶

Bases: object

Defines a target angle to search for in a molecule.

Methods

human_readable

Return human-readable definition of this target term.

Attributes

`search_string`
`search_estring`
`measured_atom_ids`
`phi0`
`torsion_k`
`torsion_n`
`funct`

Parameters:

search_string (tuple[str])
search_estring (tuple[str])
measured_atom_ids (tuple[int, int, int, int])
phi0 (Quantity)
torsion_k (Quantity)
torsion_n (int)
funct (int)

human_readable()[source]¶

Return human-readable definition of this target term.

Return type:: str

funct: int¶

measured_atom_ids: tuple[int, int, int, int]¶

phi0: Quantity¶

search_estring: tuple[str]¶

search_string: tuple[str]¶

torsion_k: Quantity¶

torsion_n: int¶