New tests, prior automatic installation, some other corrections

Author: fadeev19190

.DS_Store

@@ -30,7 +30,6 @@ classifiers = [
 ]
 dependencies = [
     'celery',
-    'polars',
     'chembl_webresource_client',
     'django',
     'django-celery-results',

files/.DS_Store

@@ -1,16 +1,16 @@
 from django.contrib import admin
 
-# import genui.generators.extensions.genuidrugex.models
-# from . import models
+import genui.generators.extensions.genuireinvent.models
+from . import models
 
-# @admin.register(models.Generator)
-# class GeneratorAdmin(admin.ModelAdmin):
-#     pass
+@admin.register(models.Generator)
+class GeneratorAdmin(admin.ModelAdmin):
+    pass
 
-# @admin.register(genui.generators.extensions.genuidrugex.models.DrugExNet)
-# class DrugExNetAdmin(admin.ModelAdmin):
-#     pass
+@admin.register(genui.generators.extensions.genuireinvent.models.ReinventNet)
+class ReinventNetAdmin(admin.ModelAdmin):
+    pass
 
-# @admin.register(genui.generators.extensions.genuidrugex.models.DrugExAgent)
-# class DrugExAgentAdmin(admin.ModelAdmin):
-#     pass
+@admin.register(genui.generators.extensions.genuireinvent.models.ReinventAgent)
+class ReinventAgentAdmin(admin.ModelAdmin):
+    pass

pyproject.toml

@@ -1,7 +1,7 @@
+# genui/src/genui/generators/extensions/genuireinvent/apps.py
+
 from django.apps import AppConfig
 
-class GenuiReinventConfig(AppConfig):
-    default_auto_field = "django.db.models.BigAutoField"
-    name = "genui.generators.extensions.genuireinvent"
-    label = "genuireinvent"
-    verbose_name = "GenUI REINVENT Integration"
+
+class GenuireinventConfig(AppConfig):
+    name = "genui.generators.extensions.genuireinvent"

src/conftest.py

@@ -28,6 +28,7 @@ class ReinventNetBuilder(bases.ProgressMixIn, bases.ModelBuilder):
 
     def __init__(self, instance: ReinventNet, initial: ReinventNet = None, progress=None):
         super().__init__(instance, progress, None)
+        # super().__init__(instance, progress, getattr(instance, "validationStrategy", None))
         self.initial = initial
         self.progressStages.append("Creating Corpus...")
         self.progressStages.append("Corpus Done.")

src/genui/generators/admin.py

@@ -0,0 +1,41 @@
+"""
+genuisetup
+
+Registers models from the genuireinvent extension into the default GenUI group.
+"""
+
+PARENT = "genui.generators"
+
+
+def setup(*args, **kwargs):
+    from genui.utils.init import createGroup
+    from . import models
+
+    createGroup(
+        "GenUI_Users",
+        [
+            # Transfer learning / prior network
+            models.ReinventNet,
+            models.ReinventNetTraining,
+            models.ReinventNetValidation,
+            models.ModelPerformanceReinvent,
+            # RL environment + scoring
+            models.ReinventEnvironment,
+            models.ReinventEnvironmentScores,
+            models.ReinventDiversityFilter,
+            models.ScoreModifier,
+            models.ClippedScore,
+            models.SmoothHump,
+            models.ScoringMethod,
+            models.PropertyScorer,
+            models.GenUIModelScorer,
+            models.UnwantedSmartsScorer,
+            # RL agent + staged learning generator
+            models.ReinventAgent,
+            models.ReinventAgentTraining,
+            models.ReinventAgentValidation,
+            models.Reinvent,
+            models.ReinventStage,
+        ],
+        force=kwargs.get("force", False),
+    )

src/genui/generators/extensions/.DS_Store

@@ -18,7 +18,7 @@
 
 from django.conf import settings
 from django.core.files.base import ContentFile
-from django.db import models
+from django.db import models, close_old_connections
 from django.utils import timezone
 
 from genui.compounds.models import MolSet, ActivitySet
@@ -156,6 +156,7 @@ class ReinventNet(Model):
     CHECKPOINT_FILE_NOTE = "reinvent_tl_checkpoint"   # where REINVENT writes
     CORPUS_TRAIN_NOTE = "reinvent_corpus_train"
     CORPUS_VALID_NOTE = "reinvent_corpus_valid"
+    PRIOR_FILE_NOTE = "reinvent_prior_copy"
 
     molset = models.ForeignKey(MolSet, on_delete=models.CASCADE, null=True)
     parent = models.ForeignKey("self", on_delete=models.CASCADE, null=True)
@@ -207,7 +208,33 @@ def get_clean_corpus_path(self) -> str:
         return self.corpusFullFile.path
 
     # ── Prior path  ────────────────────────────────────────────────
+    @property
+    def priorFile(self) -> ModelFile:
+        # stored as an AUX file tied to this model
+        return self._get_or_create_aux(self.PRIOR_FILE_NOTE, f"reinvent_prior_{self.pk}.prior")
+
+    def ensure_prior_copy(self) -> ModelFile:
+        """
+        Make sure this model has its own prior copy (for reproducibility).
+        """
+        src = _resolve_reinvent_prior_path()
+        with open(src, "rb") as f:
+            data = f.read()
+        _overwrite_filefield(self.priorFile, data, filename=os.path.basename(src))
+        return self.priorFile
+
     def get_prior_path(self) -> str:
+        """
+        Prefer the project/model-owned copy if present, else fall back to global.
+        """
+        mf = self.files.filter(kind=ModelFile.AUXILIARY, note=self.PRIOR_FILE_NOTE).first()
+        if mf and mf.file:
+            try:
+                # local storage
+                return mf.file.path
+            except Exception:
+                pass
+        # fallback (global location ensured by genuisetup)
         return _resolve_reinvent_prior_path()
 
     # ── Clean corpus preparation (hashed AUX only) ─────────────────────────────
@@ -547,7 +574,6 @@ def to_reinvent(self):
             d["penalty_multiplier"] = self.penalty_multiplier
         return d
 
-# TODO: predelat na Dataset
 class ReinventEnvironment(DataSet):
     name = models.CharField(max_length=255)
 
@@ -749,7 +775,6 @@ class ReinventAgent(Model):
     environment = models.ForeignKey(ReinventEnvironment, on_delete=models.PROTECT)
     training = models.ForeignKey(ReinventAgentTraining, on_delete=models.PROTECT)
     validation = models.ForeignKey(ReinventAgentValidation, null=True, blank=True, on_delete=models.SET_NULL)
-    #TODO pouzit Models aby dedilo logiku
     output_model = models.ForeignKey(ModelFile, null=True, blank=True, on_delete=models.SET_NULL)
 
     # moved from Generator (keep defaults to avoid breaking existing configs)