Module serde_build 

Serde-based molecule building from JSON and TOML formats.

This module provides CIntMol::from_toml method for building molecule instances from TOML files with custom basis/ECP table support.

Re-exports

use crate::parse::basis::BasisInput; 🔒

use crate::parse::basis::BasisSpec; 🔒

use crate::parse::mole::CIntMol; 🔒

use crate::parse::mole::CIntMolInput; 🔒

use crate::prelude::*; 🔒

Structs

TomlInputWithCustomTables 🔒

TOML input wrapper that captures custom basis/ECP tables.

Functions

check_is_custom 🔒

Check if a field in TOML is the “custom” string marker.

parse_toml_input

Parse TOML input and build molecule.