Add pHPitz model

Author: lars-petter-hauge

backend/src/acidwatch_api/models/__init__.py

@@ -1,4 +1,4 @@
-from . import tocomo, arcs, solubilityccs, gibbs_minimization_model
+from . import phpitz, tocomo, arcs, solubilityccs, gibbs_minimization_model
 
 
-__all__ = ["arcs", "tocomo", "solubilityccs", "gibbs_minimization_model"]
+__all__ = ["phpitz", "arcs", "tocomo", "solubilityccs", "gibbs_minimization_model"]

backend/src/acidwatch_api/models/phpitz.py

@@ -0,0 +1,70 @@
+from __future__ import annotations
+
+from acidwatch_api.models.base import (
+    BaseAdapter,
+    BaseParameters,
+    RunResult,
+    Parameter,
+    Unit,
+)
+from acidwatch_api.models.datamodel import TextResult
+from acidwatch_api.settings import SETTINGS
+
+
+class PhpitzParameters(BaseParameters):
+    temperature: int = Parameter(
+        300,
+        label="Temperature",
+        unit=Unit.TEMPERATURE_KELVIN,
+        min=200,
+        max=400,
+    )
+
+    pressure: int = Parameter(
+        10,
+        label="Pressure",
+        unit="bara",
+        min=1,
+        max=300,
+    )
+
+
+class PhpitzAdapter(BaseAdapter):
+    model_id = "phpitz"
+    display_name = "pHPitz"
+
+    valid_substances = [
+        "O2",
+        "H2O",
+        "H2S",
+        "SO2",
+        "NO2",
+        "N2",
+        "NO",
+        "H2SO4",
+        "HNO3",
+        "S8",
+        "HNO2",
+    ]
+    description = ""
+
+    parameters: PhpitzParameters
+    category: str = "Primary"
+    base_url = SETTINGS.phpitz_api_base_url
+
+    async def run(self) -> RunResult:
+        res = await self.client.post(
+            "/api/run",
+            json={
+                "concentrations": {
+                    key.lower(): value for key, value in self.concentrations.items()
+                },
+                "temperature": self.parameters.temperature - 273,
+                "pressure": self.parameters.pressure,
+            },
+            timeout=60.0,
+        )
+        res.raise_for_status()
+
+        result = res.text.replace("\\n", "\n").strip("'")
+        return ({}, TextResult(data=result))

backend/src/acidwatch_api/settings.py

@@ -22,6 +22,7 @@ class Settings(BaseSettings):
     applicationinsights_connection_string: str | None = None
 
     oasis_uri: str = "https://api-oasis-test.radix.equinor.com"
+    phpitz_api_base_url: str = "http://localhost:8008"
 
     @property
     def authority(self) -> str:

backend/tests/test_models_endpoints.py

@@ -35,7 +35,7 @@ def client(monkeypatch):
 def test_get_models(client):
     response = client.get("/models")
     assert response.status_code == 200
-    assert len(response.json()) == 5
+    assert len(response.json()) == 6
 
 
 class DummyAdapter(base.BaseAdapter):

radixconfig.yaml

@@ -64,6 +64,7 @@ spec:
                     BACKEND_API_SCOPE: api://456cc109-08d7-4c11-bf2e-a7b26660f99e/AcidWatch.User
                     TOCOMO_API_BASE_URI: https://backend-tocomo-dev.radix.equinor.com
                     ARCS_API_BASE_URI: https://api-arcs-dev.radix.equinor.com
+                    PHPITZ_API_BASE_URI: https://backend-phpitz-dev.radix.equinor.com
                     APPLICATIONINSIGHTS_CONNECTION_STRING:
                     OASIS_URI: https://api-oasis-test.radix.equinor.com
               - environment: prod
@@ -75,6 +76,7 @@ spec:
                     BACKEND_API_SCOPE: api://873cbfab-30ca-4323-b5d5-e7955cc89ad9/AcidWatch.User
                     TOCOMO_API_BASE_URI: https://backend-tocomo-prod.radix.equinor.com
                     ARCS_API_BASE_URI: https://api-arcs-prod.radix.equinor.com
+                    PHPITZ_API_BASE_URI: https://backend-phpitz-dev.radix.equinor.com
                     APPLICATIONINSIGHTS_CONNECTION_STRING:
                     OASIS_URI: https://api-oasis-prod.radix.equinor.com
           publicPort: http