fix pyright errors (#1920)

deepmodeling · May 12, 2023 · f0e21aa · f0e21aa
1 parent 3e674d4
commit f0e21aa
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Showing 3 changed files with 7 additions and 6 deletions.
diff --git a/reacnetgenerator/_draw.py b/reacnetgenerator/_draw.py
@@ -104,7 +104,7 @@ def _draw(self, timeaxis=None):
                 G.add_weighted_edges_from(
                     [(showname[name[i]], showname[name[j]], table[i][j])]
                 )
-        weights = np.array([math.log(G[u][v]["weight"] + 1) for u, v in G.edges()])
+        weights = np.array([math.log(G[u][v]["weight"] + 1) for u, v in G.edges()])  # type: ignore
         widths = (
             weights
             / np.max(weights)

diff --git a/reacnetgenerator/_path.py b/reacnetgenerator/_path.py
@@ -224,13 +224,13 @@ def convertSMILES(self, atoms, bonds):
         ValueError
             (RDKit error) Maximum BFS search size exceeded.
         """
-        m = Chem.RWMol(Chem.MolFromSmiles(""))
+        m = Chem.RWMol(Chem.MolFromSmiles(""))  # type: ignore
         d = {}
         for name, number in zip(self.atomnames[atoms], atoms):
-            d[number] = m.AddAtom(Chem.Atom(name))
+            d[number] = m.AddAtom(Chem.Atom(name))  # type: ignore
         for atom1, atom2, level in bonds:
-            m.AddBond(d[atom1], d[atom2], Chem.BondType(level))
-        name = Chem.MolToSmiles(m)
+            m.AddBond(d[atom1], d[atom2], Chem.BondType(level))  # type: ignore
+        name = Chem.MolToSmiles(m)  # type: ignore
         return name
 
     def _getatomsandbonds(self, line):

diff --git a/reacnetgenerator/tools.py b/reacnetgenerator/tools.py
@@ -3,7 +3,8 @@
 from pathlib import Path
 from typing import Dict, List, Tuple, Union
 
-import ase
+import ase.geometry
+import ase.units
 import numpy as np