Add URL Encoding to Chemed (#65)

* Update exmol.py * Bumped version * Update changelog.rst
ur-whitelab · Jan 4, 2022 · 8a96722 · 8a96722
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diff --git a/docs/source/changelog.rst b/docs/source/changelog.rst
@@ -1,6 +1,10 @@
 Change Log
 ==========
 
+v0.5.2 (2021-1-4)
+-------------------
+* Fixed SMILES escaping in URL in chemed
+
 v0.5.1 (2021-11-16)
 -------------------
 * Fixed similarity float vs int in chemed

diff --git a/exmol/exmol.py b/exmol/exmol.py
@@ -153,7 +153,7 @@ def run_chemed(
         _pbar.set_description("⚡CHEMED⚡ is Experimental ☠️")
     else:
         print("⚡CHEMED⚡ is Experimental ☠️")
-    url = f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsimilarity_2d/smiles/{origin_smiles}/property/CanonicalSMILES/JSON"
+    url = f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/fastsimilarity_2d/smiles/{requests.utils.quote(origin_smiles)}/property/CanonicalSMILES/JSON"
     try:
         reply = requests.get(
             url,

diff --git a/exmol/version.py b/exmol/version.py
@@ -1 +1 @@
-__version__ = "0.5.1"
+__version__ = "0.5.2"