Feature Selector ResName Parse Helper

GitHub Link to Code.

Resname parser helper for feature selection.

This module provides parsing functionality for resname (res) category selections, which are based on amino acid names with optional sequence ID combinations.

class mdxplain.feature_selection.helper.feature_selector_resname_parse_helper.FeatureSelectorResnameParseHelper

Helper class for res category - amino acid name based operations.

Provides static methods to parse ‘res’ category selections like “ALA”, “ALA13” to identify matching feature indices based on trajectory metadata.

static parse_res_category(param_tokens: List[str], features_list: List[list]) → Tuple[List[int], Set[int]]

Parse ‘res’ category and return matching feature indices plus matched residue indices. Uses amino acid names from metadata (residue.aaa_code, residue.a_code).

Supports both:

• “ALA” → all alanines (any seqid)

• “ALA13” → specific alanine at seqid 13

Parameters

param_tokensList[str]

List of parameter tokens for residue selection

features_listList[list]

List of features from metadata

Returns

Tuple[List[int], Set[int]]

Tuple of (feature_indices, matched_residue_indices)

Raises

ValueError

If the residue specification is invalid