Operational Error with New Database Model

[SWeav02]

I'm working on designing a new model for storing the results from BadELF. Currently it is very similar to the PopulationAnalysis model, but it doesn't inherit from StaticEnergy because I'm expecting most users interested in the code will want to run their DFT calculations using their own settings (eventually I'll add back a workflow that runs the DFT/BadELF and saves to the StaticEnergy and BadELF tables). I've also altered my BadELF workflow to directly return the desired data rather than writing an ACF.dat file like the PopulationAnalysis model currently uses. The new BadElfAnalysis model that I've made is relatively simple, basically just inheriting from the Structure and Calculation models and adding a few columns. Still, I'm running into an error when I run simmate database reset that I can't seem to figure out. The last bit of the error is below, and the full error is in the attached model_error.txt file. I'll also attach the model.py file that I made.

I'll also note that this error doesn't occur if I delete the contents of the simmate/website/migrations folder, but the generated database doesn't seem to work properly. I got an error when trying to convert a django query to a database and also when trying to view the database with a DB browser.

@jacksund any ideas?

│ /home/sweav/anaconda3/envs/simmate_dev/lib/python3.11/site-packages/django/db/backends/utils.py: │
│ 87 in _execute                                                                                   │
│                                                                                                  │
│    84 │   │   with self.db.wrap_database_errors:                                                 │
│    85 │   │   │   if params is None:                                                             │
│    86 │   │   │   │   # params default might be backend specific.                                │
│ ❱  87 │   │   │   │   return self.cursor.execute(sql)                                            │
│    88 │   │   │   else:                                                                          │
│    89 │   │   │   │   return self.cursor.execute(sql, params)                                    │
│    90                                                                                            │
│                                                                                                  │
│ ╭─────────────────────────────────────────── locals ───────────────────────────────────────────╮ │
│ │ ignored_wrapper_args = (                                                                     │ │
│ │                        │   False,                                                            │ │
│ │                        │   {                                                                 │ │
│ │                        │   │   'connection': <DatabaseWrapper vendor='sqlite'                │ │
│ │                        alias='default'>,                                                     │ │
│ │                        │   │   'cursor': <django.db.backends.utils.CursorWrapper object at   │ │
│ │                        0x7fde9c41d9d0>                                                       │ │
│ │                        │   }                                                                 │ │
│ │                        )                                                                     │ │
│ │               params = None                                                                  │ │
│ │                 self = <django.db.backends.utils.CursorWrapper object at 0x7fde9c41d9d0>     │ │
│ │                  sql = 'CREATE TABLE "warrenapp_badelfanalysis" ("id" integer NOT NULL       │ │
│ │                        PRIMARY KEY AUTOI'+1571                                               │ │
│ ╰──────────────────────────────────────────────────────────────────────────────────────────────╯ │
│                                                                                                  │
│ /home/sweav/anaconda3/envs/simmate_dev/lib/python3.11/site-packages/django/db/backends/sqlite3/b │
│ ase.py:355 in execute                                                                            │
│                                                                                                  │
│   352 │                                                                                          │
│   353 │   def execute(self, query, params=None):                                                 │
│   354 │   │   if params is None:                                                                 │
│ ❱ 355 │   │   │   return Database.Cursor.execute(self, query)                                    │
│   356 │   │   query = self.convert_query(query)                                                  │
│   357 │   │   return Database.Cursor.execute(self, query, params)                                │
│   358                                                                                            │
│                                                                                                  │
│ ╭─────────────────────────────────────────── locals ───────────────────────────────────────────╮ │
│ │ params = None                                                                                │ │
│ │  query = 'CREATE TABLE "warrenapp_badelfanalysis" ("id" integer NOT NULL PRIMARY KEY         │ │
│ │          AUTOI'+1571                                                                         │ │
│ │   self = <django.db.backends.sqlite3.base.SQLiteCursorWrapper object at 0x7fde9c637f50>      │ │
│ ╰──────────────────────────────────────────────────────────────────────────────────────────────╯ │
╰──────────────────────────────────────────────────────────────────────────────────────────────────╯
OperationalError: near "None": syntax error

model.py.txt

model_error.txt

[jacksund]

you going to be frustrated with this one 🤣 🤣

The error is because of this line:

algorithm = table_column.CharField(blank=True, null=True)

Django requires that you set a max_length for CharFields -- and an error is only raised for some databases (see their docs on it). Postgres is the one database where max_length is optional.

To fix it, just add a max_length OR you can just switch to TextField where there is no limit:

# OPTION 1
algorithm = table_column.CharField(blank=True, null=True, max_length=100)

# OPTION 2
algorithm = table_column.TextField(blank=True, null=True)

[[ EDIT: as @SWeav02 mentioned, make sure you clear your old migrations too ]]

Django could be better with the error message here, but I'm guessing it is vague because the error isn't database specific

[SWeav02]

I actually just figured this out this morning while looking through some of your other models 🤣. Somewhere in messing around trying to fix it I also managed to generate a migration folder in my app with a 0001_initial migration that I presume was created with the improper CharField line. This caused the error to keep coming up even after I fixed the line and I wasted a bunch of time looking for other issues 🙃. If anyone ever runs into this in the future and isn't sure why the fix didn't work, make sure you delete any incorrectly formed migrations!