prisma-api 0.3.3__tar.gz → 0.3.5__tar.gz

{prisma_api-0.3.3 → prisma_api-0.3.5}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: prisma_api
-Version: 0.3.3
+Version: 0.3.5
 Summary: A package for interacting with PrISMa Platform APIs. PrISMa is a holistic system for numerical synthesis and assessment of Metal-Organic Frameworks and their applications, for Direct Air Capture of CO2. For more information, see: https://prisma.hw.ac.uk.
 Author-email: RCCS-CaptureTeam <team@prisma-platform.org>
 License: GNUv3

{prisma_api-0.3.3 → prisma_api-0.3.5}/prisma_api/__init__.py

@@ -1,4 +1,4 @@
-__version__ = "0.3.3"
+__version__ = "0.3.5"
 
 
 from prisma_api.prisma_api import prisma_api as init        # Main prisma_api class for initialisation

{prisma_api-0.3.3 → prisma_api-0.3.5}/prisma_api/prisma_api_v2.py

@@ -132,13 +132,50 @@ class PrismaAPIv2:
         """
         return self._get(f"/flowsheets/{name}/")
 
-    def get_flowsheet_bundle(self) -> dict:
+    def get_flowsheet_bundle(self, name: str = "dac_min") -> dict:
         """
-        GET /api/v2/flowsheets/dac_min/bundle/
+        GET /api/v2/flowsheets/{name}/bundle/
 
-        Returns the bundled flowsheet payload for the dac_min object.
+        Returns the bundled flowsheet payload for the named object.
         """
-        return self._get("/flowsheets/dac_min/bundle/")
+        return self._get(f"/flowsheets/{name}/bundle/")
+
+    def upsert_flowsheets(
+        self,
+        flowsheets: pd.DataFrame | list[dict],
+        on_exists: str = "append",
+        appendix: str = "_v4",
+    ) -> dict:
+        """
+        PUT /api/v2/flowsheets/upsert/
+
+        Modes:
+            * append (default): ``?on_exists=append&appendix=<suffix>``
+            * overwrite:        ``?on_exists=overwrite``
+
+        Args:
+            flowsheets: DataFrame or list of dict payload records.
+            on_exists:  Conflict mode; one of ``'append'`` or ``'overwrite'``.
+            appendix:   Suffix used only in append mode (default ``'_v4'``).
+
+        Returns:
+            API response dict.
+        """
+        if on_exists not in ("append", "overwrite"):
+            raise ValueError("on_exists must be 'append' or 'overwrite'")
+
+        records = (
+            flowsheets.to_dict(orient="records")
+            if isinstance(flowsheets, pd.DataFrame)
+            else flowsheets
+        )
+
+        if on_exists == "overwrite":
+            path = "/flowsheets/upsert/?on_exists=overwrite"
+        else:
+            path = f"/flowsheets/upsert/?on_exists=append&appendix={appendix}"
+
+        return self._put(path, records)
 
     # ── Catalog ───────────────────────────────────────────────────────────────
 

{prisma_api-0.3.3 → prisma_api-0.3.5}/prisma_api.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: prisma_api
-Version: 0.3.3
+Version: 0.3.5
 Summary: A package for interacting with PrISMa Platform APIs. PrISMa is a holistic system for numerical synthesis and assessment of Metal-Organic Frameworks and their applications, for Direct Air Capture of CO2. For more information, see: https://prisma.hw.ac.uk.
 Author-email: RCCS-CaptureTeam <team@prisma-platform.org>
 License: GNUv3

{prisma_api-0.3.3 → prisma_api-0.3.5}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "prisma_api"
-version = "0.3.3"
+version = "0.3.5"
 description = "A package for interacting with PrISMa Platform APIs. PrISMa is a holistic system for numerical synthesis and assessment of Metal-Organic Frameworks and their applications, for Direct Air Capture of CO2. For more information, see: https://prisma.hw.ac.uk."
 authors = [
     {name = "RCCS-CaptureTeam", email = "team@prisma-platform.org"}

{prisma_api-0.3.3 → prisma_api-0.3.5}/tests/test_prisma_api_v2.py

@@ -10,6 +10,7 @@ live network access is required.  Run with:
 from __future__ import annotations
 
 import json
+import os
 import pytest
 import responses as resp_lib
 from responses import matchers
@@ -1422,7 +1423,18 @@ def test_api_key_header_sent(api):
 
 # ── Flowsheets ────────────────────────────────────────────────────────────────
 
+_UPSERT_FLOWSHEET_FIXTURE = "reference_data/prisma_v2/dac_min_2026-07-01.json"
+
+
+def _load_upsert_flowsheet_payload() -> list[dict]:
+    with open(_UPSERT_FLOWSHEET_FIXTURE, "r", encoding="utf-8") as f:
+        return [json.load(f)]
+
 @resp_lib.activate
+@pytest.mark.skipif(
+    os.getenv("CI", "").lower() == "true",
+    reason="Offline development fixture test is disabled in CI",
+)
 def test_get_flowsheet_matches_reference_fixture(api):
     fixture_path = "reference_data/01-prisma-v2--flowsheets/dac_min_db.json"
     with open(fixture_path, "r", encoding="utf-8") as f:
@@ -1430,7 +1442,7 @@ def test_get_flowsheet_matches_reference_fixture(api):
 
     resp_lib.add(resp_lib.GET, f"{PROD_BASE}/flowsheets/dac_min/",
                  json=expected, status=200)
-    result = api.get_flowsheet(name="dac_min")
+    result = api.get_flowsheet()
     assert result == expected
 
 
@@ -1438,10 +1450,18 @@ def test_get_flowsheet_matches_reference_fixture(api):
 def test_get_flowsheet_uses_dev_mode_base_url(dev_api):
     resp_lib.add(resp_lib.GET, f"{dev_api._base_url()}/flowsheets/dac_min/",
                  json={"template_id": "dac_min"}, status=200)
-    result = dev_api.get_flowsheet(name="dac_min")
+    result = dev_api.get_flowsheet()
     assert result["template_id"] == "dac_min"
 
 
+@resp_lib.activate
+def test_get_flowsheet_custom_name_routes_path(api):
+    resp_lib.add(resp_lib.GET, f"{PROD_BASE}/flowsheets/custom_case/",
+                 json={"template_id": "custom_case"}, status=200)
+    result = api.get_flowsheet(name="custom_case")
+    assert result["template_id"] == "custom_case"
+
+
 @resp_lib.activate
 def test_get_flowsheet_bundle_returns_dict(api):
     expected = {"template_id": "dac_min", "bundle": {"nodes": [], "edges": []}}
@@ -1457,3 +1477,56 @@ def test_get_flowsheet_bundle_uses_dev_mode_base_url(dev_api):
                  json={"template_id": "dac_min"}, status=200)
     result = dev_api.get_flowsheet_bundle()
     assert result["template_id"] == "dac_min"
+
+
+@resp_lib.activate
+def test_get_flowsheet_bundle_custom_name_routes_path(api):
+    resp_lib.add(resp_lib.GET, f"{PROD_BASE}/flowsheets/custom_case/bundle/",
+                 json={"template_id": "custom_case"}, status=200)
+    result = api.get_flowsheet_bundle(name="custom_case")
+    assert result["template_id"] == "custom_case"
+
+
+@resp_lib.activate
+def test_upsert_flowsheets_default_append_mode(api):
+    resp_lib.add(
+        resp_lib.PUT,
+        f"{PROD_BASE}/flowsheets/upsert/?on_exists=append&appendix=_v4",
+        json={"created": 1, "updated": 0},
+        status=200,
+    )
+    payload = _load_upsert_flowsheet_payload()
+    result = api.upsert_flowsheets(payload)
+    assert result["created"] == 1
+
+
+@resp_lib.activate
+def test_upsert_flowsheets_overwrite_mode(api):
+    resp_lib.add(
+        resp_lib.PUT,
+        f"{PROD_BASE}/flowsheets/upsert/?on_exists=overwrite",
+        json={"created": 0, "updated": 1},
+        status=200,
+    )
+    payload = _load_upsert_flowsheet_payload()
+    result = api.upsert_flowsheets(payload, on_exists="overwrite")
+    assert result["updated"] == 1
+
+
+@resp_lib.activate
+def test_upsert_flowsheets_uses_dev_mode_base_url(dev_api):
+    resp_lib.add(
+        resp_lib.PUT,
+        "http://localhost:8000/api/v2/flowsheets/upsert/?on_exists=append&appendix=_dev",
+        json={"created": 1, "updated": 0},
+        status=200,
+    )
+    payload = _load_upsert_flowsheet_payload()
+    result = dev_api.upsert_flowsheets(payload, appendix="_dev")
+    assert result["created"] == 1
+
+
+def test_upsert_flowsheets_rejects_invalid_on_exists(api):
+    payload = _load_upsert_flowsheet_payload()
+    with pytest.raises(ValueError):
+        api.upsert_flowsheets(payload, on_exists="replace")