v0.007

1 files changed, 61 insertions, 0 deletions

diff --git a/assets/src/js/main.js b/assets/src/js/main.js
new file mode 100644
index 0000000..936215e
--- /dev/null
+++ b/assets/src/js/main.js
@@ -0,0 +1,61 @@
+// 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);
+}
+