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Module Structure

selection.py

SelectionMember(object)

GenericSelection(SelectionMember, collections.UserDict)

IndexedSelection(GenericSelection)

CoordArraySelection(GenericSelection)

GenericSelection(GenericSelection)

Point

SelectionsDict(SelectionMember, collections.UserDict)

SelectionsList(SelectionMember, collections.UserList)

CoordArray(SelectionMember)

SelectionType(object)

SelectionTypeLibrary(col.UserDict)

molecule.py

AtomType

BondType

MoleculeType

Atom

Bond

Molecule

system.py

SystemType

System

features.py

FeatureType

Feature

interactions.py

AssociationType

Association

InteractionType

Interaction

HydrogenBondType

HydrogenBond

interfaces

rdkit.py

RDKitMoleculeWrapper

config

molecule.py

system.py

features.py

interactions.py

Class Structure

SelectionMember(object)

GenericSelection(SelectionMember)

Selection(GenericSelection, collections.UserList)

IndexedSelection(GenericSelection, collections.UserDict)

Bond(IndexedSelection)

CoordArraySelection(GenericSelection)

Point(CoordArraySelection)

Atom(Point)

SelectionsDict(SelectionMember, collections.UserDict)

Molecule(SelectionsDict)

Feature(SelectionsDict)

SelectionsList(SelectionMember, collections.UserList)

System(SelectionList)

Association(SelectionList)

SystemAssociation(Association)

Interaction(SystemAssociation)

HydrogenBondInx(Interaction)NoHHydrogenBondInx(Interaction)PiStackingInx(Interaction)

CoordArray(SelectionMember)

AtomType(object)

MoleculeType(object)

SystemType(object)

AssociationType(object)

InteractionType(object)

HydrogenBondType(InteractionType)

NoHHydrogenBondType(InteractionType)

PiStackingType(InteractionType)

Currently is a prototype.

FeatureType(object)

Exception

InteractionError(Exception)