Subsections


select.domain

Image spin

Synopsis

Select all spins and interatomic data containers of a domain.

Defaults

select.domain(domain_id=None, boolean=`AND', change_all=True)

Keyword arguments

domain_id: The domain ID string of the domain to select.

boolean: The boolean operator specifying how interatomic data containers should be selected.

change_all: A flag specifying if all non-matching spin and interatomic data containers should be deselected.

Description

This will select all spins and interatomic data containers of a given domain. This is defined by the domain ID string as specified by the previously executed domain-related user functions.

Boolean operators

The boolean operator can be used to change how spin systems or interatomic data containers are selected. The allowed values are: `OR', `NOR', `AND', `NAND', `XOR', `XNOR'. The following table details how the selections will occur for the different boolean operators.

Please see Table 17.1 on page [*].

Prompt examples

To select all spins of the domain `N-dom', simply type one of:

[numbers=none]
relax> select.domain('N-dom', change_all=True)

[numbers=none]
relax> select.domain(domain_id='N-dom', change_all=True)

To select all spins of the domain `N-dom', preserving the current selections, simply type one of:

[numbers=none]
relax> select.domain('N-dom', 'AND', True)

[numbers=none]
relax> select.domain(domain_id='N-dom', boolean='AND', change_all=True)


The relax user manual (PDF), created 2016-10-28.