Rénder SMILES rings as mobile diagrams.

This post is part of our special coverage Global Development 2011.

{\cHFFFFFF}{\cH00FFFF}{\cH00FFFF} {\cHFFFFFF}{\cH00FFFF}{\cH00FFFF} {\cHFFFFFF}{\cH00FFFF} {\cHFFFFFF}{\cH00FFFF}{\cH00FFFF} Rust./WASM plusin for parsing and playing out, then draws the result

The package is meant for Chemitry notes, reactions, reports, and teaching material where you want to live direct in your Typst source instead of Coping diagrams from a security destination.

♪ Start by reporting smiles ♪

Pass a SMILES string and the package will draw the

@preview/typed-smiles: 0.2.0

#table

Columns: (1fr, 1fr, 1fr),

I don't know.

I'm sorry.

I'm sorry.

"No, no, no, no.

[*Ethanol*]

[*Alanine*],

[*Chlobenzenzene*],

[*Furan*],

[#smiles("CCO")],

[#smiles("CC(N)C(=O)O")],

[#smiles]

[#smiles("C1=CC=CO1")]

I'm not sure.

Scaling

Use scale

I don't know if I'm going to be able to help you, but I don't think I'm going to be able to help you.

You can still override Bond-Length.

I don't know.

font-size

I don't know.

Individually when a figure needs human movement.

#table

Columns: (1fr, 1fr, 1fr),

I don't know.

I'm sorry.

I'm sorry.

"No, no, no, no.

[*Small*],

[*Default*]

[*Large*],

[#smiles("C1=CC=C1", scale: 0.8)],

("C1=CC=CC=C1"),

[#smiles("C1=CC=C1", scale: 1.4)],

I'm not sure.

Hydrogens and labels

By default, typed-smiles

Follows the our usual drawing convention:

You know, heteratoms are down, while carbon hydroggens stay intact.

Which means ordinary SMILES such as CC(O)O

I'm sorry, I'm sorry.

And...

OH

We'll show-all-h: true

When you also want

Carbon hydrogens, blacket syntax for explicat hydrogens, and label

You know, for...

I'm sorry to bother you, but I'm sorry.

To color a label and its bunds

You know, by element symbol or named color.

With font

#table

Columns: (1fr, 1fr, 1fr, 1fr,

I don't know.

I'm sorry.

I'm sorry.

"No, no, no, no.

[*Default Hetero H*]

[*All H*]

[Exxlicit bracket H*]

[*Colored label*]

[*Custom font*]

[#smiles("CC(N)C(=O)O")],

[#smiles, show-all-h: true]

[#smiles("[NH3]"],

[#smiles("Ph3}P}C=O")]

[#smiles("CCN", font: "Liberinus Serif")],

I'm not sure.

Chemical formulas and assessments

This post is part of our special coverage Global Development 2011.

I don't know, reports e

From chemformula

So the same import can handle

Ordinary formulas and text-based chemical assessments.

And...

font-size

For local formula styling; use a math-capable font for Formulas,

This is useful for salts, small inorganic.

Spectaculars, opinions, and assessments where a full Molecular diagram would be

"@preview/typed-smiles:0.0":ce

#table

Columns: (1fr, 1fr),

I don't know.

I'm sorry.

I'm sorry.

"No, no, no, no.

[#stack (spacing: 0.35 cm, strong [Formula], c("H2SO4")],

[#stack (spacing: 0.35 cm, strong [lons], c ("(NH4) 2SO4")],

[#stack (spacing: 0.35 cm, strong [Commbustion], c ("CH4 + 2O2-> CO2 + 2H2O")],

[#stack (spacing: 0.35 cm, strong [Equilibrium], c ("N2 + 3H2 < > 2NH3")],

I'm not sure.

ReactI'm sorry.

For routine reactions, use reactions

, rxn-arrow

, and mol

These.

Well, helps let you combine SMILES-based mobile diagrams with c)

I'm sorry.

Plus signs, labels, and arrow settlements in one playout. Import "@preview/typed-smiles: 0.2.0": smiles, c, rxn-arrow, mol, review

#stack

Spacing: 1 cm,

Stack()

Spacing: 0.4 cm,

This is the first time I've ever heard of this.

(center, review)

("CC(=O)O"), label: text (size: 8pt) [actic acid])

[+],

("CCO"), label: text (size: 8pt) [ethanol],

rxn-arrow.

("CCOC(=O)C"), label: text (size: 8pt) [ethyl environment])

[+],

("H2O" )

The blogger adds:

This post is part of our special coverage Syria Protests 2011.

Stack()

Spacing: 0.4 cm,

I'm sorry, I'm sorry, but I don't know.

(center, review)

("C1=CC=C1", label: text (size: 8pt) [benzene])

rxn-arrow (above:ce), below:ce ( "FeBr3"),

("BrC1=CC=C1", label: text (size: 8pt) [bromobenzene])

The blogger adds:

This post is part of our special coverage Syria Protests 2011.

I'm not sure.

Multi-step mechanisms

Reactions can point right, left, up, or down.

Spacing: 1.2em,

(Center, strong [Brominization, National, and Reduction Security])

(center, review)

("C1=CC=C1", label: text(size: 8pt) [1],

rxn-arrow (above:ce), below:ce ( "FeBr3"),

("BrC1=CC=C1", label: text (size: 8pt) [A])

Rxn-arrow (dir: "down", above: c), below: c ("H2SO4"),

Mol("BrC1=CC(=C1) [N+](=O)[O-]], label: text (size: 8pt) [B]],

Rxn-arrow,

("BrC1=CC(=C1)N"), label: text(size: 8pt) [C])

The blogger adds:

I'm not sure.

Stereochemistry and drawing examples

This post is part of our special coverage Global Development 2011.

You're not gonna get away with it.

And...

[C@H]

I'm sorry.

I'm sorry, but...

Discribe cis/trans

For essentially human drawings,

typed-smiles extensions:w!

Forces a solid wedge and!

Forces a hashed

Blacket appears like this.

I'm sorry.

SMILES blacket atoms; use {n}

#table #

Columns: (1fr, 1fr, 1fr),

I don't know.

I'm sorry.

I'm sorry.

"No, no, no, no.

[*Manual Wedge*]

[*Manual Hash*]

[*Tetrahedal@*]

[*trans alkene*]

[#smiles("C!wN")],

[#smiles("C!hN")],

[#smiles("N[C@H](C)C(=O)O")],

[#smiles("F/C=C/F")],

I'm not sure.

API# Smiles #

Renders a SMILES string as a 2D skeletal diagram.

| | | | | | | | |

Smiles-str

I'm sorry.

I'm sorry, sir, but I'm sorry.

Scale

Float

1.0 zirconium

Balanced scale for Bond left, atom labels, and bund stroke

Bond-Length

Float

Scale

Bond left scene; 1.0 equals 30 pt per Bond

font-size

I'm sorry.

11 pt

It's not like you're going to do it.

font

I'm sorry.

"New Computer Modern"

Atom label font

bund-stroke

I'm sorry.

0.9 pt *scale

I don't know.

color

Bool

It's true.

Apply Jmol CPCK atom colors

Rotation

I'm sorry.

0deg

Rotate the Molecule while keeping atom labels upright

Show-all-h

Bool

Fulse

Showed integrated hydrogens on all atoms, including carbon

Expllicit Bond-Length

,font-size

And Bond-stream

♪ ♪ values override the

I'm sorry, I'm sorry.

I'm sorry, but I'm sorry.

:

Syntax

|-------

I'm sorry.

Literal upright label at an atom position

I'm sorry.

Literal labels and bends colored like an element, here nitrogen

I'm sorry.

Literal label and bends colored with a named color

I'm sorry.

Force a solid wedge on the next single Bond

I'm sorry.

Force a Hashed wedge on the next single Bond

#ce

Re-exportschemulmula

'Sch'

But I'm not sure I'm going to do it.

Passes through the usual

Oh, my God.

I'm sorry, armed and adds optional font

And font-size

I'm sorry.

Formula won't support the heart.

Creates an arms for #reaction

I don't know. Parameter, Type, Default, Description.

| | | | | | | | |

Above

Content

None

Label above a horizon, or right of a vertical narrow

I'm sorry.

Content

None

Label below a horizonntal arow, or left of a vertical arrow

I'm sorry.

I'm sorry.

"right"

One of "right", "left", "down", or "up"

#mol

#reaction

Lays out molecules, formulas, plus signs, and rxn-arrow.

♪ values in a reaction ♪

Directing angrows move the place cursor, so multi-line programmes can

You know, be smart as a single rule.

The package uses the miles-parser

Current claims:

- Aromatic lowcase measures are not parsed by

smiles-parser

Use Kekule forms such as CC1=CC=C1

Instaad of c1cccc1

- Tetrahedral.

@

/ @

I'm sorry, I'm sorry.

/ /

- Allene, square-planar, technical-bipyramid, octahedral, and complex ring management are not yet supported.

Run native Rust tests

Cargo Test-manifest-path pugin/Cargo.toml

♪ Build the Wasm pugin used by Typst

/bild.sh

Compile the visual test document

typs/test.

Architecure

Rust Wasm pugin-- JSON CETZ drawing in Typst

The Rust handles palming and 2D coordonates.

MIT