sisl.geom.AtomZ

class sisl.geom.AtomZ

Bases: AtomCategory

Classify atoms based on atomic number

Parameters:: Z – atomic number match for several values this is equivalent to AND

Methods

`categorize`(geometry[, atoms])	Do categorization
`is_class`(name[, case])	Query whether `name` matches the class name by removing a prefix `kw`
`kw`(**kwargs)	Create categories based on keywords

Attributes

name

Name of category

categorize(geometry, atoms=None)[source]

Do categorization

Parameters:

geometry (Geometry)
atoms (AtomsIndex)

classmethod is_class(name, case=True)

Query whether name matches the class name by removing a prefix kw

This is important to ensure that users match the full class name by omitting the prefix returned from this method.

This is an abstract method to ensure sub-classes of Category implements it.

For instance:

class MyCategory(Category):

    @classmethod
    def is_class(cls, name):
         # strip "My" and do comparison
         return cl.__name__.lower()[2:] == name.lower()

would enable one to compare against the base category scheme.

This has the option to search case-sensitivity or not.

Return type:: bool

classmethod kw(**kwargs)

Create categories based on keywords

This will search through the inherited classes and return and & category object for all keywords.

Since this is a class method one should use this on the base category class in the given section of the code.

property name: Name of category