bucky.model.state

Provide a class to hold the internal state vector to the compartment model (and track compartment indices).

Module Contents

Classes

buckyState

Class to manage the state of the bucky compartments (and their indices).

Functions

slice_to_cpu(s)

Ensure the values of the slice aren't cupy arrays to prevent an unsupported implict conversion in xp.r_.

class bucky.model.state.buckyState(structure_cfg, Nij, state=None, dtype=xp.float32)

Class to manage the state of the bucky compartments (and their indices).

__getattribute__(self, attr)

Allow for . access to the compartment indices, otherwise return the ‘normal’ attribute.

__setattr__(self, attr, x)

Allow setting of compartments using . notation, otherwise default to normal attribute behavior.

init_S(self)

Init the S compartment such that N=1.

property state_shape(self)

Return the shape of the internal state ndarray.

validate_state(self)

Validate that the state is valid (finite, nonnegative, N=1).

zeros_like(self)

Return a mostly shallow copy of self but with a zeroed out self.state.

bucky.model.state.slice_to_cpu(s)

Ensure the values of the slice aren’t cupy arrays to prevent an unsupported implict conversion in xp.r_.