update script, rework error handling

app.py

@@ -98,4 +98,4 @@ def background():
 
 # set debug to false in production environment
 if __name__ == "__main__":
-    app.run(host="0.0.0.0", debug=False)
+    app.run(host="0.0.0.0")

functions.py

@@ -1,5 +1,6 @@
 import astropy.units as u
 import numpy as np
+import radis
 from radis import SerialSlabs, Spectrum, calc_spectrum
 from radis.spectrum.operations import add_array, multiply
 from specutils import SpectralRegion
@@ -528,8 +529,18 @@ def __generate_spectrum(params):
             verbose=False,
             warnings={"AccuracyError": "ignore"},
         )
+    except radis.misc.warning.EmptyDatabaseError:
+        return None, True, "error: No line in the specified wavenumber range"
     except Exception as e:
-        return None, True, e
+        match str(e):
+            case "Failed to retrieve data for given parameters.":
+                return (
+                    None,
+                    True,
+                    "error: HITRAN data does not exist for requested molecule.",
+                )
+            case other:
+                return None, True, str(e)
 
     return spectrum, False, None
 

scripts/virtual_environment.sh

@@ -1,13 +1,21 @@
 #!/bin/bash
 
-echo "------ script started ------"
-
-echo "-- creating flask virtual environment --"
+echo "------ 'virtual_environment.sh' started ------"
 
+echo -n " creating virtual environment... "
 python3 -m venv venv
+echo "done"
 
+echo -n " activating virtual environment... "
 source venv/bin/activate
+echo "done"
+
+echo -n " installing dependencies from 'requirements.txt'... "
+pip install -q -r ./scripts/requirements.txt
+echo "done"
 
-pip install -r ./scripts/requirements.txt
+echo -n " deactivating virtual environment... "
+deactivate
+echo "done"
 
 echo "------ script finished ------"

wsgi.py

@@ -1,4 +1,4 @@
 from app import app
 
 if __name__ == "__main__":
-    app.run()
+    app.run(debug=False)