conkit.core.contactfile module¶

ContactFile container used throughout ConKit

class ContactFile(id)[source]¶

Bases: conkit.core.entity.Entity

A contact file object representing a single prediction file

The contact file class represents a data structure to hold all predictions with a single contact map file. It contains functions to store, manipulate and organise contact maps.

Examples

>>> from conkit.core import ContactMap, ContactFile
>>> contact_file = ContactFile("example")
>>> contact_file.add(ContactMap("foo"))
>>> contact_file.add(ContactMap("bar"))
>>> print(contact_file)
ContactFile(id="example" nmaps=2)

author¶

The author of the ContactFile

Type:	str

method¶

The ContactFile-specific method

Type:	list, str

remark¶

The ContactFile-specific remarks

Type:	list, str

target¶

The target name

Type:	str

top_map¶

The first ContactMap entry in ContactFile

Type:	`ContactMap`

author

method: The ContactFile-specific method

remark: The ContactFile-specific remarks

sort(kword, reverse=False, inplace=False)[source]¶

Sort the ContactFile

Parameters:	kword (str) – The dictionary key to sort contacts by reverse (bool, optional) – Sort the contact pairs in descending order [default: False] inplace (bool, optional) – Replace the saved order of contacts [default: False]
Returns:	The reference to the `ContactMap`, regardless of inplace
Return type:	`ContactMap`
Raises:	`ValueError` – kword not in `ContactFile`

target

top_map: The first ContactMap entry