`CIFBlock`#

class biotite.structure.io.pdbx.CIFBlock(categories=None, name=None)[source]#

Bases: _Component, MutableMapping

This class represents a block in a CIFFile.

Categories can be accessed and modified like a dictionary. The values are CIFCategory objects.

Parameters:

categoriesdict, optional: The categories of the block. The keys are the category names and the values are the CIFCategory objects. By default, an empty block is created.
namestr, optional: The name of the block. This is only used for serialization and is automatically set, when the CIFBlock is added to a CIFFile. It only needs to be set manually, when the block is directly serialized.

Attributes:

namestr: The name of the block.

Notes

The category names do not include the leading underscore character. This character is automatically added when the category is serialized.

Examples

>>> # Add category on creation
>>> block = CIFBlock({"foo": CIFCategory({"some_column": 1})}, name="baz")
>>> # Add category later on
>>> block["bar"] = CIFCategory({"another_column": [2, 3]})
>>> # Access a column
>>> print(block["bar"]["another_column"].as_array())
['2' '3']
>>> print(block.serialize())
data_baz
#
_foo.some_column   1
#
loop_
_bar.another_column
2
3
#

static deserialize(text)#

Create this component by deserializing the given content.

Parameters:

contentstr or dict: The content to be deserialized. The type of this parameter depends on the file format. In case of CIF files, this is the text of the lines that represent this component. In case of BinaryCIF files, this is a dictionary parsed from the MessagePack data.

serialize()#

Convert this component into a Python object that can be written to a file.

Returns:

contentstr or dict: The content to be serialized. The type of this return value depends on the file format. In case of CIF files, this is the text of the lines that represent this component. In case of BinaryCIF files, this is a dictionary that can be encoded into MessagePack.

static subcomponent_class()#

Get the class of the components that are stored in this component.

Returns:

subcomponent_classtype: The class of the subcomponent. If this component already represents the lowest level, i.e. it does not contain subcomponents, None is returned.

static supercomponent_class()#

Get the class of the component that contains this component.

Returns:

supercomponent_classtype: The class of the supercomponent. If this component present already the highest level, i.e. it is not contained in another component, None is returned.

CIFBlock#

`CIFBlock`#