blob: 936215ed541fd5659116c1c695634a0e7afe00fd (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
|
// import Popper
//= ../../../node_modules/popper.js/dist/umd/popper.js
// import required js-files Bootstrap 5
//= ../../../node_modules/bootstrap/js/dist/alert.js
//= ../../../node_modules/bootstrap/js/dist/button.js
//= ../../../node_modules/bootstrap/js/dist/carousel.js
//= ../../../node_modules/bootstrap/js/dist/collapse.js
//= ../../../node_modules/bootstrap/js/dist/dropdown.js
//= ../../../node_modules/bootstrap/js/dist/modal.js
//= ../../../node_modules/bootstrap/js/dist/popover.js
//= ../../../node_modules/bootstrap/js/dist/scrollspy.js
//= ../../../node_modules/bootstrap/js/dist/tab.js
//= ../../../node_modules/bootstrap/js/dist/toast.js
//= ../../../node_modules/bootstrap/js/dist/tooltip.js
function bruh_moment(){
alert('this is a bruh moment')
}
function get_smiles_from_element_text(el_id){
var inputVal = document.getElementById(el_id).value;
let url = `https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/${inputVal}/property/CanonicalSMILES/JSON`;
console.log(url)
fetch(url)
.then(res => res.json())
.then((out) => {
console.log('Aye, got that dub from PubChem');
//console.log(out["PropertyTable"]["Properties"][0]["CanonicalSMILES"])
document.getElementById("inputSMILES").value = out["PropertyTable"]["Properties"][0]["CanonicalSMILES"]
})
.catch(err => {
bruh_moment()
throw err });
}
function draw_me_like_one_of_your_french_girls(mol){
mol.condense_abbreviations();
var canvas = document.getElementById("draw-canvas-2");
mol.draw_to_canvas(canvas, -1, -1);
}
function calculate_and_disperse(mol){
var descrs = JSON.parse(mol.get_descriptors());
document.getElementById('exactmw').textContent = descrs["exactmw"];
document.getElementById('CrippenMR').textContent = descrs["CrippenMR"];
document.getElementById('CrippenClogP').textContent = descrs["CrippenClogP"];
}
function analyse_me_senpai(smile_pwiz) {
var smiles = document.getElementById(smile_pwiz).value;
var mol = Module.get_mol(smiles);
draw_me_like_one_of_your_french_girls(mol);
calculate_and_disperse(mol);
}
|
