Elements
jaff.core.elements.Elements
The Elements class is a sorted, deduplicated Catalogue of chemical elements derived from a set of species. Like Element, it is a flyweight: instances built from the same sorted species set are reused. Elements are ordered alphabetically by symbol, which fixes the row order of the composition matrices (truth_matrix, density_matrix).
Constructor
Elements(species)
Parameters
- species : Specie, list[Specie], str, or list[str]
- Species to analyze. Strings are auto-converted to
Specie.
Attributes
| Attribute | Type | Description |
|---|---|---|
species |
list[Specie] |
The species provided at construction, stored as a list of Specie objects |
count |
int |
Number of distinct chemical elements found across all provided species |