Composition

Chemical formula handling, element analysis, and composition visualization.

Source: src/lib/composition/

Overview

The composition module provides tools for analyzing and displaying the chemical makeup of structures, with multiple chart types and formula formatting options.

Key Functions

// Get element amounts from structure
get_elem_amounts(structure): Record<string, number>

// Format chemical formula with HTML subscripts
format_chemical_formula(composition): string

// Sort elements alphabetically
alphabetical_formula(composition): string

// Sort by electronegativity
electro_neg_formula(composition): string

// Get unique element list
get_elements(structure): string[]

// WASM-accelerated composition analysis
wasm_get_composition(structure): Composition

Visualization Components

Component	Description
Composition.svelte	Main composition display container
BarChart.svelte	Horizontal bar chart of element fractions
BubbleChart.svelte	Bubble chart scaled by element amount
PieChart.svelte	Pie chart of composition
Formula.svelte	Formatted chemical formula rendering

Chart Features

• Element colors follow CPK/Jmol convention
• Hover tooltips show exact amounts and percentages
• Multiple chart types for different visual preferences
• Responsive sizing