NamedMolecule

NamedMolecule { name: "caffeine".into(), .. } draws a molecule by its common name, like Molecule draws a SMILES string. The name is looked up in a table of about a hundred common molecules written for the kit. It covers small inorganic molecules, hydrocarbons, aromatics and heterocycles, alcohols, acids, sugars, amino acids, nucleobases, and drugs and hormones (caffeine, aspirin, glucose, cholesterol, morphine). Nothing is looked up over the network.

Case, hyphens and underscores do not matter ("Vitamin-C" finds "vitamin c"). A name that is not in the table draws nothing, and inspect warns about it. named_smiles(name) gives the SMILES, and named_molecules() lists the table. Gallery scenes: MoleculeParade (five named molecules drawn in turn into a lineup) and NamedMolecule (caffeine, vanillin and dopamine).

MoleculeParade 6.5 sPlayUnmuteCopy render command

NamedMolecule 3 sPlayUnmuteCopy render command

use fframes_kit::prelude::*;

fn figure<'a>(ui: &mut Ui<'a, '_, '_>) -> Svgr<'a> {
    ui.show(NamedMolecule {
        name: "glucose".into(),
        center: (0.0, 0.0),
        enter: Some(Create::default().into()),
        ..ui.defaults()
    })
}

API

Components are plain structs. Set the fields you need and fill the rest with ..ui.defaults(): the defaults below come from the current theme (theme. values are fields of Theme).

NamedMolecule

Field	Type	Default	Description
name	Cow<str>	Cow::Borrowed("caffeine")	Common name of the molecule ("caffeine", "glucose"); case, hyphens and underscores do not matter. A name not in the table draws nothing.
center	(f64, f64)	m.center	The middle of the molecule’s coordinates, in units of ui.space.
bond_length	f32	m.bond_length	Pixels per bond length of the laid-out structure.
show_hydrogens	bool	m.show_hydrogens	Writes the hydrogens and charge after a heteroatom’s symbol (OH, NH2); false writes the symbol alone.
color_atoms	bool	m.color_atoms	Colours the labels of oxygen, nitrogen, sulfur, phosphorus and the halogens; false uses bond_color for all.
bond_color	Color	m.bond_color	Colour of the bonds, and of the labels of carbon and of every atom when color_atoms is false.
stroke_width	f32	m.stroke_width	Width in pixels of the bond lines.
enter	Option<EnterAnim>	None	How the bonds draw on; None shows them from the start.
exit	Option<ExitAnim>	None	How the bonds leave at the end of the container; None stays.
parts_enter	Option<FadeIn>	None	Fade in of the atom labels; None for none.
parts_exit	Option<FadeOut>	None	Fade out of the atom labels before the end; None for none.

Feature chemistry · Source