added basic error handling to CAS type input

ChemID.py

@@ -18,14 +18,24 @@ def ResolveChemical(chemName, IDtype):
 
     if IDtype == 'CAS':
         cas = chemName
+        smiles = None
+        name = None
+        Mw = None
+        im64 = None
+        error = 0
+
         smiles = cas2smiles(cas)
-        name = cas2name(cas)
-        mol = Chem.MolFromSmiles(smiles)
-        Mw = Descriptors.MolWt(mol)
-        im = ImageFromSmiles(smiles)
-        im64 = Imageto64(im)
 
-    return (name, cas, smiles, Mw, im64)
+        if smiles:
+            name = cas2name(cas)
+            mol = Chem.MolFromSmiles(smiles)
+            Mw = Descriptors.MolWt(mol)
+            im = ImageFromSmiles(smiles)
+            im64 = Imageto64(im)
+        else:
+            error = 1
+
+    return (name, cas, smiles, Mw, im64, error)
 
 #Generates an image of the molecule represented by the SMILES code given.
 #Returns None if the image cannot be generated. From https://github.com/ronaldo-prata/flask-test/blob/master/functions.py
@@ -54,7 +64,6 @@ def Imageto64(img):
     img = wTrim(img)
     buf = BytesIO()
     img.save(buf, format="PNG")
-
     pngImageB64String = "data:image/png;base64,"
     pngImageB64String += base64.b64encode(buf.getvalue()).decode("utf-8")
 
@@ -155,8 +164,6 @@ def string2name(string):
             # have seen empty iupac_name before, try synonyms if this happens
             name = c.synonyms[0]
             origin = 'PubChem'
-        except KeyboardInterrupt:
-            raise
         except:
             name = None
             origin = None
@@ -166,8 +173,6 @@ def string2name(string):
             name = cirpy.resolve(string, 'names')
             #name = cirpy.resolve(string, 'iupac_name')
             if name: origin = 'CIRPY'
-        except KeyboardInterrupt:
-            raise
         except:
             name = None
             origin = None
@@ -183,8 +188,6 @@ def string2name(string):
             fd = nltk.FreqDist(allsyns)
             name = fd.most_common(1)[0][0]
             origin = 'PubChem/substance'
-        except KeyboardInterrupt:
-            raise
         except:
             name = None
             origin = None
@@ -198,8 +201,6 @@ def string2name(string):
             name = c.synonyms[0]
             #name = c.iupac_name
             origin = 'PubChem'
-        except KeyboardInterrupt:
-            raise
         except:
             name = None
             origin = None
@@ -208,8 +209,6 @@ def string2name(string):
             try:
                 name = cirpy.resolve(string_strip, 'names')
                 if name: origin = 'CIRPY'
-            except KeyboardInterrupt:
-                raise
             except:
                 name = None
                 origin = None

exposure_module/exposure.py

@@ -21,7 +21,10 @@ def exp_post():
     chemName = request.form["chemName"]
     IDtype = request.form["IDtype"]
 
-    iupac, cas, smiles, MW, molImage = ResolveChemical(chemName, IDtype)
+    iupac, cas, smiles, MW, molImage, error = ResolveChemical(chemName, IDtype)
+    print(error)
+    if error > 0:
+        return render_template('chemError.html')
 
     amount = float(request.form["amount"])
     mass = float(request.form["mass"])

{templates → exposure_module/templates}/chemError.html

@@ -2,7 +2,8 @@
 <html lang="en">
 <head>
     <meta charset="UTF-8">
-    <title>CHRIS</title>
+    <title>CHRIS-ChemError</title>
+    <link rel= "stylesheet" type= "text/css" href= "{{ url_for('static',filename='styles.css') }}">
 
 </head>
 

exposure_module/templates/exposure_report.html

@@ -146,7 +146,7 @@ The threshold for toxicological concern (TTC) for {{exposure}} contact is {{TTC}
 </p>
 
 <p>
-<font color="red"> *Note*: This assessment assumes that {{chemName}} is not in the cohort of concern. </font>
+<font color="red"> *Note*: This assessment assumes that {{iupac}} is not in the cohort of concern. </font>
 </p>
 
 {% else %}