rowan-python 0.0.3__tar.gz → 0.0.5__tar.gz

{rowan-python-0.0.3 → rowan_python-0.0.5}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: rowan-python
-Version: 0.0.3
+Version: 0.0.5
 Summary: Rowan Python Library
 Author-email: Corin Wagen <corin@rowansci.com>
 Project-URL: Homepage, https://github.com/rowansci/rowan-client

{rowan-python-0.0.3 → rowan_python-0.0.5}/pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "rowan-python"
-version = "0.0.3"
+version = "0.0.5"
 description = "Rowan Python Library"
 readme = "README.md"
 requires-python = ">=3.8"

{rowan-python-0.0.3 → rowan_python-0.0.5}/rowan/client.py

@@ -59,7 +59,7 @@ class Client:
                     },
                 )
 
-            elif type in ["pka", "conformers", "tautomers"]:
+            else:
                 response = client.post(
                     f"{API_URL}/workflow",
                     headers=self.headers,
@@ -97,33 +97,42 @@ class Client:
                 response_dict = response.json()
                 status = response_dict["status"]
 
-            elif type in ["pka", "conformers", "tautomers"]:
+            else:
                 response = client.get(f"{API_URL}/workflow/{calc_uuid}", headers=self.headers)
                 response.raise_for_status()
                 response_dict = response.json()
                 status = response_dict["object_status"]
 
-            else:
-                raise ValueError(f"Unknown type ``{type}``!")
-
         return status in [2, 3, 4]
 
     def get(self, calc_uuid: str, type: str = "calculation") -> dict:
         with httpx.Client() as client:
             if type == "calculation":
-                response = client.get(f"{API_URL}/calculation/{calc_uuid}/stjames", headers=self.headers)
+                stj_response = client.get(f"{API_URL}/calculation/{calc_uuid}/stjames", headers=self.headers)
+                stj_response.raise_for_status()
+                stj_dict = stj_response.json()
+
+                response = client.get(f"{API_URL}/calculation/{calc_uuid}", headers=self.headers)
                 response.raise_for_status()
                 response_dict = response.json()
+
+                # reformat
+                del response_dict["settings"]
+                response_dict["data"] = stj_dict
+
                 return response_dict
 
-            elif type in ["pka", "conformers", "tautomers"]:
+            else:
                 response = client.get(f"{API_URL}/workflow/{calc_uuid}", headers=self.headers)
                 response.raise_for_status()
                 response_dict = response.json()
-                return response_dict["object_data"]
 
-            else:
-                raise ValueError(f"Unknown type ``{type}``!")
+                # reformat
+                response_dict["data"] = response_dict["object_data"]
+                del response_dict["object_data"]
+                del response_dict["status"]
+
+                return response_dict
 
     def stop(self, calc_uuid: str, type: str = "calculation") -> None:
         with httpx.Client() as client:
@@ -131,22 +140,16 @@ class Client:
                 response = client.post(f"{API_URL}/calculation/{calc_uuid}/stop", headers=self.headers)
                 response.raise_for_status()
 
-            elif type in ["pka", "conformers", "tautomers"]:
+            else:
                 response = client.post(f"{API_URL}/workflow/{calc_uuid}/stop", headers=self.headers)
                 response.raise_for_status()
 
-            else:
-                raise ValueError(f"Unknown type ``{type}``!")
-
     def delete(self, calc_uuid: str, type: str = "calculation") -> None:
         with httpx.Client() as client:
             if type == "calculation":
                 response = client.delete(f"{API_URL}/calculation/{calc_uuid}", headers=self.headers)
                 response.raise_for_status()
 
-            elif type in ["pka", "conformers", "tautomers"]:
+            else:
                 response = client.delete(f"{API_URL}/folder/{calc_uuid}", headers=self.headers)
                 response.raise_for_status()
-
-            else:
-                raise ValueError(f"Unknown type ``{type}``!")

{rowan-python-0.0.3 → rowan_python-0.0.5}/rowan_python.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: rowan-python
-Version: 0.0.3
+Version: 0.0.5
 Summary: Rowan Python Library
 Author-email: Corin Wagen <corin@rowansci.com>
 Project-URL: Homepage, https://github.com/rowansci/rowan-client