hbat.config.ui_config

Centralized configuration for HBAT UI, export, and parameter management.

This module defines the single source of truth for: - Interaction type columns and display properties - Parameter definitions and validation ranges - Data extraction patterns for all interaction types

This eliminates duplication across GUI, Server, and Export modules.

Functions

extract_interaction_data(interaction, config)	Extract formatted data from an interaction using config.
get_interaction_config(interaction_type)	Get configuration for a specific interaction type.
get_parameter_config(param_name)	Get configuration for a specific parameter.
get_parameters_by_category()	Group parameters by their category.

Classes

ColumnConfig(name, label[, csv_header, ...])	Configuration for a single column in results display/export.
InteractionConfig(id, label, icon, ...)	Configuration for a single interaction type.
ParameterConfig(name, label, default[, ...])	Configuration for a single analysis parameter.

class hbat.config.ui_config.ColumnConfig(name: str, label: str, csv_header: str = '', json_key: str = '', width: int = 100, precision: int | None = None, accessor: Callable[[Any], Any] | None = None)

Configuration for a single column in results display/export.

Defines how a field should be displayed, exported, and formatted across all interfaces (GUI, Server, Export).

name: str

label: str

csv_header: str = ''

json_key: str = ''

width: int = 100

precision: int | None = None

accessor: Callable[[Any], Any] | None = None

__post_init__()

Set defaults for optional fields.

__init__(name: str, label: str, csv_header: str = '', json_key: str = '', width: int = 100, precision: int | None = None, accessor: Callable[[Any], Any] | None = None) → None

class hbat.config.ui_config.InteractionConfig(id: str, label: str, icon: str = 'link', analyzer_attr: str = '', filename: str = '', columns: List[ColumnConfig] = <factory>, summary_keys: List[str] = <factory>)

Configuration for a single interaction type.

Defines all metadata needed to display, export, and format a specific type of molecular interaction.

id: str

label: str

icon: str = 'link'

analyzer_attr: str = ''

filename: str = ''

columns: List[ColumnConfig]

summary_keys: List[str]

__post_init__()

Set defaults for optional fields.

__init__(id: str, label: str, icon: str = 'link', analyzer_attr: str = '', filename: str = '', columns: List[ColumnConfig] = <factory>, summary_keys: List[str] = <factory>) → None

class hbat.config.ui_config.ParameterConfig(name: str, label: str, default: float | bool | str, min_val: float | int | None = None, max_val: float | int | None = None, category: str = 'General', description: str = '', param_type: str = 'float')

Configuration for a single analysis parameter.

Defines ranges, defaults, and metadata for parameters in the AnalysisParameters class.

name: str

label: str

default: float | bool | str

min_val: float | int | None = None

max_val: float | int | None = None

category: str = 'General'

description: str = ''

param_type: str = 'float'

__init__(name: str, label: str, default: float | bool | str, min_val: float | int | None = None, max_val: float | int | None = None, category: str = 'General', description: str = '', param_type: str = 'float') → None

hbat.config.ui_config.get_interaction_config(interaction_type: str) → InteractionConfig | None

Get configuration for a specific interaction type.

Parameters:

interaction_type – Interaction type ID (e.g., “hydrogen_bonds”)

Returns:

InteractionConfig or None if not found

hbat.config.ui_config.get_parameter_config(param_name: str) → ParameterConfig | None

Get configuration for a specific parameter.

Parameters:

param_name – Parameter name

Returns:

ParameterConfig or None if not found

hbat.config.ui_config.extract_interaction_data(interaction: Any, config: InteractionConfig, interaction_index: int = 0) → Dict[str, Any]

Extract formatted data from an interaction using config.

Extracts all column values from an interaction object using the accessor functions defined in the config.

Parameters:

• interaction – MolecularInteraction object

• config – InteractionConfig for this interaction type

• interaction_index – Index for interactions without unique IDs

Returns:

Dictionary mapping column names to formatted values

hbat.config.ui_config.get_parameters_by_category() → Dict[str, List[ParameterConfig]]

Group parameters by their category.

Returns:

Dictionary mapping category names to lists of ParameterConfig