TransitionPathway

class mrsimulator.transition.TransitionPathway(pathway: list = [], weight=1 + 0j)

Bases: mrsimulator.transition.pathway.TransitionList

Base TransitionPathway class is a list of connected Transitions.

Example

>>> from mrsimulator.transition import TransitionPathway, Transition
>>> t1 = Transition(initial = [0.5, 0.5], final = [0.5, -0.5])
>>> t2 = Transition(initial=[0.5, 0.5], final=[-0.5, 0.5])
>>> path = TransitionPathway([t1, t2])
>>> path
|0.5, -0.5⟩⟨0.5, 0.5| ⟶ |-0.5, 0.5⟩⟨0.5, 0.5|, weight=(1+0j)

append(item)

Append a list item

clear() → None -- remove all items from S

count(value) → integer -- return number of occurrences of value

extend(values)

S.extend(iterable) – extend sequence by appending elements from the iterable

filter(P=None, PP=None, D=None)

Filter a list of transitions to satisfy the filtering criterion.

Parameters

• P (list) – A list of N (m_final - m_initial) values, where N is the total number of sites within the spin system.

• D (list) – A list of N (m_final^2 - m_initial^2) values, where N is the total number of sites within the spin system.

index(value[, start[, stop]]) → integer -- return first index of value.

Raises ValueError if the value is not present.

Supporting start and stop arguments is optional, but recommended.

insert(index, item)

Insert a list item

json(**kwargs) → dict

Parse the class object to a JSON compliant python dictionary object.

Example

>>> pprint(path.json())
{'pathway': [{'final': [0.5, -0.5], 'initial': [0.5, 0.5]},
             {'final': [-0.5, 0.5], 'initial': [0.5, 0.5]}],
 'weight': (1+0j)}

pop([index]) → item -- remove and return item at index (default last).

Raise IndexError if list is empty or index is out of range.

remove(value)

S.remove(value) – remove first occurrence of value. Raise ValueError if the value is not present.

reverse()

S.reverse() – reverse IN PLACE

tolist()

Expand TransitionPathway to a Python list.

Example

>>> path.tolist()
[0.5, 0.5, 0.5, -0.5, 0.5, 0.5, -0.5, 0.5]

SymmetryPathway

class mrsimulator.transition.SymmetryPathway(*, channels: list = [], ch1: list = None, ch2: list = None, ch3: list = None)

Bases: pydantic.main.BaseModel

Base SymmetryPathway class.

channels

The list of channels

Type

list

ch1

The symmetry pathway for channel at index 0.

Type

list

ch2

The symmetry pathway for channel at index 1.

Type

list

ch3

The symmetry pathway for channel at index 2.

Type

list

total

The total symmetry pathway.