debugging pythonanywhere

exposure_module/exposure.py

@@ -8,6 +8,8 @@ from ChemID import ResolveChemical
 # load polymer data including Ap values
 polymers, Ap = Polymers()
 
+debug = True
+
 # load the index page for the exposure module
 @blueprint.route('/exposure', methods=['GET'])
 def exposure():
@@ -21,7 +23,10 @@ def exp_post():
     chemName = request.form["chemName"]
     IDtype = request.form["IDtype"]
 
-    iupac, cas, smiles, MW, LogP, rho, mp, molImage, error = ResolveChemical(chemName, IDtype)
+    if debug:
+        iupac, cas, smiles, MW, LogP, LogP_origin, rho, rho_origin, mp, mp_origin, molImage, error = ResolveChemical(chemName, IDtype, debug=debug)
+    else:
+        iupac, cas, smiles, MW, LogP, rho, mp, molImage, error = ResolveChemical(chemName, IDtype)
 
     if error > 0:
         return render_template('chemError.html')
@@ -38,7 +43,9 @@ def exp_post():
             rho = 'Not found'
         if mp is np.nan or mp is None:
             mp = 'Not found'
-        return render_template('MwError.html', chemName=chemName, MW=MW, LogP=LogP, rho=rho, mp=mp, iupac=iupac, cas=cas, smiles=smiles, molImage=molImage)
+        if not debug:
+            LogP_origin, rho_origin, mp_origin = '','',''
+        return render_template('MwError.html', chemName=chemName, MW=MW, LogP=LogP, rho=rho, mp=mp, iupac=iupac, cas=cas, smiles=smiles, molImage=molImage, LogP_origin=LogP_origin, rho_origin=rho_origin, mp_origin=mp_origin)
 
     amount = float(request.form["amount"])
     mass = float(request.form["mass"])
@@ -92,7 +99,11 @@ def exp_post():
     rates = SheetRates(amount, vol, area, tarray, diff)
     pngImageB64String = RatePlot(tarray, rates)
 
+    if not debug:
+        LogP_origin, rho_origin, mp_origin = '','',''
+
     return render_template('exposure_report.html', polymers=polymers, pIndex=pIndex, release=release,
                            assume=assume, area=area, vol=vol, amount=amount, diff=diff, time=time, exposure=exposure, TTC=TTC,
-                           MOS=MOS, chemName=chemName, image=pngImageB64String, MW=MW, LogP=LogP, rho=rho, mp=mp, iupac=iupac, cas=cas, smiles=smiles, molImage=molImage)
+                           MOS=MOS, chemName=chemName, image=pngImageB64String, MW=MW, LogP=LogP, rho=rho, mp=mp, iupac=iupac, cas=cas, smiles=smiles, molImage=molImage,
+                           LogP_origin=LogP_origin, rho_origin=rho_origin, mp_origin=mp_origin)
 

exposure_module/templates/MwError.html

@@ -46,9 +46,9 @@
       IUPAC Name ::  {{iupac}} <br> <br>
       CAS ::  {{cas}} <br> <br>
       Molecular weight :: {{MW}} <br> <br>
-      LogKow :: {{'%0.2f'%LogP|float}} <br> <br>
-      Density :: {{rho}} <br> <br>
-      Melting point :: {{'%0.1f'%mp|float}} <br> <br>
+      LogKow :: {{'%0.2f'%LogP|float}} ({{LogP_origin}}) <br> <br>
+      Density :: {{rho}} ({{rho_origin}}) <br> <br>
+      Melting point :: {{'%0.1f'%mp|float}} ({{mp_origin}}) <br> <br>
       SMILES :: {{smiles}}
   </div>
   <div class="column">

exposure_module/templates/exposure_report.html

@@ -54,9 +54,9 @@
       IUPAC Name ::  {{iupac}} <br> <br>
       CAS ::  {{cas}} <br> <br>
       Molecular weight :: {{MW}} <br> <br>
-      LogKow :: {{'%0.2f'%LogP|float}} <br> <br>
-      Density :: {{rho}} <br> <br>
-      Melting point :: {{'%0.1f'%mp|float}} <br> <br>
+      LogKow :: {{'%0.2f'%LogP|float}} ({{LogP_origin}})<br> <br>
+      Density :: {{rho}} ({{rho_origin}}) <br> <br>
+      Melting point :: {{'%0.1f'%mp|float}} ({{mp_origin}}) <br> <br>
       SMILES :: {{smiles}}
   </div>
   <div class="column">