qmmm_pme.plugins package

Subpackages

Submodules

qmmm_pme.plugins.plugin module

A module defining the abstract Plugin base class and derived classes.

class qmmm_pme.plugins.plugin.CalculatorPlugin[source]

Bases: Plugin

The base class for creating a Plugin which modifies any Calculator class.

abstract modify(calculator)[source]

Modify the functionality of any Calculator.

Parameters:

calculator (ModifiableCalculator) – The Calculator object to modify with the Plugin.

Return type:

None

class qmmm_pme.plugins.plugin.IntegratorPlugin[source]

Bases: Plugin

The base class for creating a Plugin which modifies any Integrator class.

abstract modify(integrator)[source]

Modify the functionality of a Integrator.

Parameters:

integrator (ModifiableIntegrator) – The Integrator object to modify with the Plugin.

Return type:

None

class qmmm_pme.plugins.plugin.Plugin[source]

Bases: ABC

The base class for creating QM/MM/PME plugins.

class qmmm_pme.plugins.plugin.QMMMCalculatorPlugin[source]

Bases: Plugin

The base class for creating a Plugin which modifies the QMMMCalculator class.

abstract modify(calculator)[source]

Modify the functionality of a QMMMCalculator QMMMCalculator.

Parameters:

calculator (QMMMCalculator) – The QMMMCalculator object to modify with the Plugin.

Return type:

None

Module contents

A sub-package for defining plugin functionality and dynamically loading plugins.