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https://github.com/liatemplates/kekulejs
Implementation of KekuleJS in LiaScript
https://github.com/liatemplates/kekulejs
chemistry kekule kekulejs liascript liascript-template oer
Last synced: about 16 hours ago
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Implementation of KekuleJS in LiaScript
- Host: GitHub
- URL: https://github.com/liatemplates/kekulejs
- Owner: LiaTemplates
- License: gpl-3.0
- Created: 2020-05-06T15:36:40.000Z (over 4 years ago)
- Default Branch: master
- Last Pushed: 2023-11-03T12:51:59.000Z (about 1 year ago)
- Last Synced: 2023-11-04T12:23:40.226Z (about 1 year ago)
- Topics: chemistry, kekule, kekulejs, liascript, liascript-template, oer
- Language: JavaScript
- Homepage: https://liascript.github.io/course/?https://raw.githubusercontent.com/liaTemplates/KekuleJS/master/README.md#1
- Size: 3.66 MB
- Stars: 2
- Watchers: 2
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
Awesome Lists containing this project
README
# Kekelu JS
Implementation of the the JS library KekuleJS which provides tool for rendering
molecules and much more chemical notation.
[KekuleJS Source](https://github.com/partridgejiang/Kekule.js/tree/master)
[LiaScript Page](https://liascript.github.io/course/?https://raw.githubusercontent.com/liaTemplates/KekuleJS/master/README.md#1)
# `@Kekule.molecule2d`
Put the cml representation of the molecule you want to render into markdown
quotes and put the macro `@Kekule.molecule2d` on the first line of the markdown
block.
You have to be carful that your cml code does not contain any
`@`-Symbols or the macro will not work. (Sometimes these symbols are in the meta info.)
``` xml
```
The code above gets interpreted as this molecule:
``` xml @Kekule.molecule2d
```
# `@Kekule.molecule3d`
Put the cml representation of the molecule you want to render into markdown
quotes and put the macro `@Kekule.molecule3d` on the first line of the markdown
block.
You have to be carful that your cml code does not contain any
`@`-Symbols or the macro will not work. (Sometimes these symbols are in the meta info.)
``` xml
```
The code above gets interpreted as this molecule:
``` @Kekule.molecule3d
```
# `@Kekule.periodicTable`
This macro adds a periodic table to the current liaScript page.
The first argument of the macro can be used for making the table large.
Simply type large into the brackets after the macro.
It is not recommended to put more than one table on the same page.
## `@Kekule.periodicTable - small`
@Kekule.periodicTable
## `@Kekule.periodicTable(large) - large`
@Kekule.periodicTable(large)
## Loading Files with `@Kekule.load`
LiaScript has a special syntax for urls, if you want to pass a URL that should be also a link in ordinary Markdown, simply add an `@` in front of the link:
`@[Kekule.load](/data/example.mol)`
---
@[Kekule.load](data/example.mol)
## Loading Files with `@Kekule.load3d`
``` text @Kekule.load3d(mol)
Picture 1
PPPPPPPP 3D
6 12 0 0 0 0 0 0 0 0 0
0.0000 1.8079 1.8079 Cu 0 0 0 1
3.6157 1.8079 1.8079 Cu 0 0 0 1
1.8079 0.0000 1.8079 Cu 0 0 0 1
1.8079 3.6157 1.8079 Cu 0 0 0 1
1.8079 1.8079 0.0000 Cu 0 0 0 1
1.8079 1.8079 3.6157 Cu 0 0 0 1
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
M END
```
``` text
Picture 1
PPPPPPPP 3D
6 12 0 0 0 0 0 0 0 0 0
0.0000 1.8079 1.8079 Cu 0 0 0 1
3.6157 1.8079 1.8079 Cu 0 0 0 1
1.8079 0.0000 1.8079 Cu 0 0 0 1
1.8079 3.6157 1.8079 Cu 0 0 0 1
1.8079 1.8079 0.0000 Cu 0 0 0 1
1.8079 1.8079 3.6157 Cu 0 0 0 1
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
M END
```
@Kekule.eval3d(mol)