Feature Selector ResID Parse Helper

GitHub Link to Code.

Resid parser helper for feature selection.

This module provides parsing functionality for resid category selections, which are based on array indices (residue.index) in the trajectory data.

class mdxplain.feature_selection.helper.feature_selector_resid_parse_helper.FeatureSelectorResidParseHelper

Helper class for resid category - array index based operations.

Provides static methods to parse ‘resid’ category selections like “123”, “123-140” to identify matching feature indices based on trajectory metadata.

static parse_resid_category(param_parts: List[str], features_list: List[list]) → Tuple[List[int], Set[int]]

Parse ‘resid’ category and return matching feature indices plus matched residue indices. Uses array index from metadata (residue.index).

Parameters

Tuple[List[int], Set[int]]: Tuple of (feature_indices, matched_residue_indices)