From 0626491680275ed0a82edb5503f01dccf1445554 Mon Sep 17 00:00:00 2001
From: Kohulan <kohulan.rajan@uni-jena.de>
Date: Mon, 20 Mar 2023 14:52:24 +0100
Subject: [PATCH] fix: Linter issues on depict3D

---
 app/modules/depict3D.py | 18 ++++++++++--------
 1 file changed, 10 insertions(+), 8 deletions(-)

diff --git a/app/modules/depict3D.py b/app/modules/depict3D.py
index 2a8067f..07b02ba 100644
--- a/app/modules/depict3D.py
+++ b/app/modules/depict3D.py
@@ -2,13 +2,14 @@
 from rdkit import Chem
 from rdkit.Chem import AllChem
 
+
 def get3Dconformers(smiles):
-    '''Convert SMILES to Mol with 3D coordinates
+    """Convert SMILES to Mol with 3D coordinates
     Args (str): SMILES string.
     Returns (rdkil.mol): A mol object with 3D coodinates
     optimized with MMFF94 forcefield.
 
-    '''
+    """
     mol = Chem.MolFromSmiles(smiles)
     if mol:
         AllChem.Compute2DCoords(mol)
@@ -19,28 +20,29 @@ def get3Dconformers(smiles):
     else:
         return None
 
+
 def get3DDepiction(smiles, size=(512, 512), style="stick", surface=False, opacity=0.5):
     """Draw molecule in 3D
-    
+
     Args:
     ----
         smiles (str): SMILES string.
         size (tuple): canvas size.
         style (str): Type of drawing molecule
-        	('line', 'stick', 'sphere', 'carton').
+                ('line', 'stick', 'sphere', 'carton').
         surface (bool): display SAS.
         opacity (float): opacity of surface, range 0.0-1.0.
     Return:
     ----
         viewer: py3Dmol.view, a class for constructing embedded 3Dmol.js view.
     """
-    assert style in ('line', 'stick', 'sphere', 'carton')
+    assert style in ("line", "stick", "sphere", "carton")
     conformers = get3Dconformers(smiles)
     mblock = Chem.MolToMolBlock(conformers)
     viewer = py3Dmol.view(width=size[0], height=size[1])
-    viewer.addModel(mblock, 'mol')
-    viewer.setStyle({style:{}})
+    viewer.addModel(mblock, "mol")
+    viewer.setStyle({style: {}})
     if surface:
-        viewer.addSurface(py3Dmol.SAS, {'opacity': opacity})
+        viewer.addSurface(py3Dmol.SAS, {"opacity": opacity})
     viewer.zoomTo()
     return viewer