prolint.plotting.density¶

Density map plotters for spatial distribution visualization.

This module provides 2D density and radial density visualizations for database molecule distributions around query atoms.

Classes¶

`DensityMapPlotter`	Plotter for 2D spatial density maps.
`RadialDensityPlotter`	Plotter for radial density profiles.

Module Contents¶

class prolint.plotting.density.DensityMapPlotter[source]¶

Bases: prolint.plotting.base.BasePlotter

Plotter for 2D spatial density maps.

Visualizes the spatial distribution of database molecules around the query center of mass.

See also

DensityMapAnalysis: Generates density map data
RadialDensityPlotter: Radial density profiles

name = 'density_map'[source]¶

required_analysis = 'density_map'[source]¶

description = '2D spatial density of database molecules around query'[source]¶

classmethod validate_result(result: prolint.analysis.base.AnalysisResult) → None[source]¶: Validate that result contains required density map data.

classmethod plot(result: prolint.analysis.base.AnalysisResult, colorscheme: str = 'viridis', xlabel: str = 'X (Å)', ylabel: str = 'Y (Å)', title: str = 'Density Map', figsize: Tuple[float, float] = (8, 8), ax: matplotlib.axes.Axes | None = None, show_colorbar: bool = True, cbar_label: str = 'Density', log_scale: bool = False, aspect: str = 'equal', vmin: float | None = None, vmax: float | None = None, show_query_contours: bool = True, highlight_query_residues: List[int] | None = None, highlight_database_ids: List[int] | None = None, universe=None, frame: int = 0) → Tuple[matplotlib.figure.Figure, matplotlib.axes.Axes][source]¶

Create 2D density map visualization.

Parameters:

result (AnalysisResult) – Result from density_map analysis.
colorscheme (str, default="viridis") – Color scale name.
log_scale (bool, default=False) – Whether to use logarithmic color scale.
show_query_contours (bool, default=True) – Whether to overlay query density as contours.
highlight_query_residues (list of int, optional) – Query residues to highlight on the map.
highlight_database_ids (list of int, optional) – Database molecules to highlight.
universe (Universe, optional) – Required for highlighting residues.
ax (Axes, optional) – Existing axes to plot on.

Returns:

Matplotlib figure and axes objects.

Return type:

tuple of (Figure, Axes)

class prolint.plotting.density.RadialDensityPlotter[source]¶

Bases: prolint.plotting.base.BasePlotter

Plotter for radial density profiles.

Visualizes radially-averaged density as a function of distance from the query center.