Function _depth

Source
pub fn _depth(mol_block: &str) -> PyResult<u32>
Expand description

Compute assembly depth; see Pagel et al. (2024).

Python version of depth.

§Python Parameters

  • mol_block: The contents of a .mol file as a str.

§Python Returns

  • The molecule’s int assembly depth.

§Python Example

import assembly_theory as at

# Load a mol block from file.
with open('data/checks/benzene.mol') as f:
    mol_block = f.read()

# Calculate the molecule's assembly index.
at.depth(mol_block)  # 3