Class Selection

An object containing mol-res-spin selections.

A Selection object represents either a set of selected molecules, residues and spins, or the union or intersection of two other Selection objects.

Instance Methods

__init__(self, select_string)
Initialise a Selection object.

bool __contains__(self, obj)
Replacement function for determining if an object matches the selection.

bool __contains_mol_res_spin_containers(self, obj)
Are the MoleculeContainer, ResidueContainer, and/or SpinContainer in the selection.

bool __contains_spin_id(self, spin_id)
Is the molecule, residue, and/or spin of the spin_id string located in the selection.

bool contains_mol(self, mol=None)
Determine if the molecule name, in string form, is contained in this selection object.

bool contains_res(self, res_num=None, res_name=None, mol=None)
Determine if the residue name, in string form, is contained in this selection object.

bool contains_spin(self, spin_num=None, spin_name=None, res_num=None, res_name=None, mol=None)
Determine if the spin is contained in this selection object.

bool has_molecules(self)
Determine if the selection object contains molecules.

bool has_residues(self)
Determine if the selection object contains residues.

bool has_spins(self)
Determine if the selection object contains spins.

intersection(self, select_obj0, select_obj1)
Make this Selection object the intersection of two other Selection objects.

union(self, select_obj0, select_obj1)
Make this Selection object the union of two other Selection objects.

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

Inherited from object: __class__

Method Details

__init__(self, select_string)
(Constructor)

Initialise a Selection object.

Parameters:

• select_string (string) - A mol-res-spin selection string.

Overrides: object.__init__

__contains__(self, obj)
(In operator)

Replacement function for determining if an object matches the selection.

Parameters:

• obj (instance or type of instances.) - The data object. This can be a MoleculeContainer, ResidueContainer, or SpinContainer instance or a type of these instances. If a tuple, only one type of object can be in the tuple.

Returns: bool

The answer of whether the object matches the selection.

__contains_mol_res_spin_containers(self, obj)

Are the MoleculeContainer, ResidueContainer, and/or SpinContainer in the selection.

Parameters:

• obj (instance or type of instances.) - The data object. This can be a MoleculeContainer, ResidueContainer, or SpinContainer instance or a type of these instances. If a tuple, only one type of object can be in the tuple.

Returns: bool

The answer of whether the objects are found within the selection object.

__contains_spin_id(self, spin_id)

Is the molecule, residue, and/or spin of the spin_id string located in the selection.

Only the simple selections allowed by the tokenise function are currently supported.

Parameters:

• spin_id (str) - The spin identification string.

Returns: bool

The answer of whether the molecule, residue, and/or spin corresponding to the spin_id string found within the selection object.

contains_mol(self, mol=None)

Determine if the molecule name, in string form, is contained in this selection object.

Parameters:

• mol (str or None) - The name of the molecule.

Returns: bool

The answer of whether the molecule is contained withing the selection object.

contains_res(self, res_num=None, res_name=None, mol=None)

Determine if the residue name, in string form, is contained in this selection object.

Parameters:

• res_num (int or None) - The residue number.
• res_name (str or None) - The residue name.
• mol (str or None) - The molecule name.

Returns: bool

The answer of whether the molecule is contained withing the selection object.

contains_spin(self, spin_num=None, spin_name=None, res_num=None, res_name=None, mol=None)

Determine if the spin is contained in this selection object.

Parameters:

• spin_num (int or None) - The spin number.
• spin_name (str or None) - The spin name.
• res_num (int or None) - The residue number.
• res_name (str or None) - The residue name.
• mol (str or None) - The molecule name.

Returns: bool

The answer of whether the spin is contained withing the selection object.

has_molecules(self)

Determine if the selection object contains molecules.

Returns: bool

The answer of whether the selection contains molecules.

has_residues(self)

Determine if the selection object contains residues.

Returns: bool

The answer of whether the selection contains residues.

has_spins(self)

Determine if the selection object contains spins.

Returns: bool

The answer of whether the selection contains spins.

intersection(self, select_obj0, select_obj1)

Make this Selection object the intersection of two other Selection objects.

Parameters:

• select_obj0 (Selection instance.) - First Selection object in intersection.
• select_obj1 (Selection instance.) - First Selection object in intersection.

union(self, select_obj0, select_obj1)

Make this Selection object the union of two other Selection objects.

Parameters:

• select_obj0 (Selection instance.) - First Selection object in intersection.
• select_obj1 (Selection instance.) - First Selection object in intersection.