ContactMatch

Store an ordered residue correspondence and its search report.

from proteinmotion import ContactMatch

Constructor

ContactMatch(
    source_indices: np.ndarray,
    target_indices: np.ndarray,
    report: dict,
    source_keys: tuple,
    target_keys: tuple,
)

Parameters

Parameter	Default	Description
`source_indices`np.ndarray	Required	Strictly increasing zero-based source topology residue indices.
`target_indices`np.ndarray	Required	Strictly increasing zero-based target topology residue indices.
`report`dict	Required	Dictionary with matching statistics, search status, and optimality information.
`source_keys`tuple	Required	Source residue identity tuples stored for validation.
`target_keys`tuple	Required	Target residue identity tuples stored for validation.

Notes

Use match_backbones() or from_pairs() to create a correspondence. Both residue-index arrays are read-only. save() and load() preserve correspondence and validation identities.

Attributes

Name	Description
`source_indices`	Strictly increasing zero-based source topology residue indices.
`target_indices`	Strictly increasing zero-based target topology residue indices.
`report`	Dictionary with matching statistics, search status, and optimality information.
`source_keys`	Source residue identity tuples stored for validation.
`target_keys`	Target residue identity tuples stored for validation.

Methods and properties

Name	Description
from_pairs()class method	Create an explicit correspondence from at least three increasing residue-index pairs.
load()class method	Load a saved JSON correspondence. BackboneMorph validates it against the structures.
save()method	Save residue correspondences, identities, and the report as JSON.

from_pairs()

View source

ContactMatch.from_pairs(source, target, source_indices, target_indices)

Create an explicit correspondence from at least three increasing residue-index pairs.

Parameter	Default	Description
`source`	Required	Source Protein.
`target`	Required	Object to animate or use as a destination. The supported object type depends on the operation.
`source_indices`	Required	Strictly increasing zero-based source topology residue indices.
`target_indices`	Required	Strictly increasing zero-based target topology residue indices.

Returns: ContactMatch

load()

View source

ContactMatch.load(path)

Load a saved JSON correspondence. BackboneMorph validates it against the structures.

Parameter	Default	Description
`path`	Required	Input or output file path, as specified by the operation.

Returns: ContactMatch

save()

View source

ContactMatch.save(path)

Save residue correspondences, identities, and the report as JSON.

Parameter	Default	Description
`path`	Required	Input or output file path, as specified by the operation.

Returns: None