parmed.topologyobjects.DihedralTypeList

class parmed.topologyobjects.DihedralTypeList(*args, **kwargs)

Dihedral types are a Fourier expansion of terms. In some cases, they are stored in a list like this one inside another TrackedList. In other cases, each term is a separate entry in the TrackedList.

In cases where DihedralType`s are stored with every term in the same container, this object supports list assignment and indexing like :class:`DihedralType.

Parameters

*argsobjects

Any arguments that list would take.

listTrackedList, optional

A list that “contains” this DihedralTypeList instance. This is a keyword-only argument. Default is None (i.e., belonging to no list)

**kwargskeyword argument list

All other keyword arguments passed directly to the list constructor

Attributes

idx

penalty

Methods

append(other[, override])	Adds a DihedralType to the DihedralTypeList
clear(/)	Remove all items from list.
copy(/)	Return a shallow copy of the list.
count(value, /)	Return number of occurrences of value.
extend(iterable, /)	Extend list by appending elements from the iterable.
from_rbtorsion(rbtorsion)	Creates a Fourier series of proper torsions from a Ryckaerts-Bellemans torsion.
index(value[, start, stop])	Return first index of value.
insert(index, object, /)	Insert object before index.
pop([index])	Remove and return item at index (default last).
remove(value, /)	Remove first occurrence of value.
reverse(/)	Reverse IN PLACE.
sort(*[, key, reverse])	Stable sort IN PLACE.

__init__(*args, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

Methods

__init__(*args, **kwargs)	Initialize self.
append(other[, override])	Adds a DihedralType to the DihedralTypeList
clear(/)	Remove all items from list.
copy(/)	Return a shallow copy of the list.
count(value, /)	Return number of occurrences of value.
extend(iterable, /)	Extend list by appending elements from the iterable.
from_rbtorsion(rbtorsion)	Creates a Fourier series of proper torsions from a Ryckaerts-Bellemans torsion.
index(value[, start, stop])	Return first index of value.
insert(index, object, /)	Insert object before index.
pop([index])	Remove and return item at index (default last).
remove(value, /)	Remove first occurrence of value.
reverse(/)	Reverse IN PLACE.
sort(*[, key, reverse])	Stable sort IN PLACE.

Attributes

idx
penalty