rowan-python 2.0.2__py3-none-any.whl → 2.1.0__py3-none-any.whl

rowan/__init__.py

@@ -3,6 +3,7 @@ from . import constants
 
 from .folder import *
 from .workflow import *
+from .project import *
 from .protein import *
 from .user import *
 from .utils import *

rowan/project.py

@@ -0,0 +1,136 @@
+from datetime import datetime
+from typing import Any, Self
+
+from pydantic import BaseModel
+
+from .utils import api_client
+
+
+class Project(BaseModel):
+    """
+    A class representing a project in the Rowan API.
+
+    :ivar uuid: The UUID of the project.
+    :ivar name: The name of the project.
+    :ivar created_at: The date and time the project was created.
+    """
+
+    uuid: str
+    name: str | None = None
+    created_at: datetime | None = None
+
+    def __repr__(self) -> str:
+        return f"<Project name='{self.name}' created_at='{self.created_at}' uuid='{self.uuid}'>"
+
+    def update(
+        self,
+        name: str | None = None,
+    ) -> Self:
+        """
+        Update a project.
+
+        :param name: The new name of the project.
+
+        :return: The updated project object.
+        """
+        payload = {
+            "name": name if name is not None else self.name,
+        }
+
+        with api_client() as client:
+            response = client.post(f"/project/{self.uuid}", json=payload)
+            response.raise_for_status()
+            updated_data = response.json()
+
+        self.name = updated_data.get("name")
+        return self
+
+    def delete(self) -> None:
+        """
+        Delete the project.
+
+        This is a destructive action, it will delete all the folders and
+        workflows that are inside this project.
+
+        :raises requests.HTTPError: if the request to the API fails.
+        """
+        with api_client() as client:
+            response = client.delete(f"/project/{self.uuid}")
+            response.raise_for_status()
+
+
+def retrieve_project(uuid: str) -> Project:
+    """
+    Retrieves a project from the API by UUID. Project UUID can be found in the project's URL.
+
+    :param uuid: The UUID of the project to retrieve.
+    :return: A Project object representing the retrieved project.
+    :raises HTTPError: If the API request fails.
+    """
+    with api_client() as client:
+        response = client.get(f"/project/{uuid}")
+        response.raise_for_status()
+        return Project(**response.json())
+
+
+def list_projects(
+    name_contains: str | None = None,
+    page: int = 0,
+    size: int = 10,
+) -> list[Project]:
+    """
+    Retrieve a list of projects based on the specified criteria.
+
+    :param name_contains: Substring to search for in project names.
+    :param page: Pagination parameter to specify the page number.
+    :param size: Pagination parameter to specify the number of items per page.
+    :return: A list of Folder objects that match the search criteria.
+    :raises requests.HTTPError: if the request to the API fails.
+    """
+
+    params: dict[str, Any] = {
+        "page": page,
+        "size": size,
+    }
+
+    if name_contains is not None:
+        params["name_contains"] = name_contains
+
+    with api_client() as client:
+        response = client.get("/project", params=params)
+        response.raise_for_status()
+        items = response.json()
+
+    return [Project(**item) for item in items]
+
+
+def create_project(
+    name: str,
+) -> Project:
+    """
+    Create a new project.
+
+    :param name: The name of the project.
+    :return: The newly created project.
+    """
+    data = {
+        "name": name,
+    }
+    with api_client() as client:
+        response = client.post("/project", json=data)
+        response.raise_for_status()
+        project_data = response.json()
+    return Project(**project_data)
+
+
+def default_project() -> Project:
+    """
+    Retrieves the default project from the API.
+
+    :return: A Project object representing the default project.
+    :raises HTTPError: If the API request fails.
+    """
+    with api_client() as client:
+        response = client.get("/user/me/default_project")
+        response.raise_for_status()
+        return Project(**response.json())

rowan/protein.py

@@ -189,12 +189,13 @@ def upload_protein(name: str, file_path: Path) -> Protein:
         return Protein(**final_response.json())
 
 
-def create_protein_from_pdb_id(name: str, code: str) -> Protein:
+def create_protein_from_pdb_id(name: str, code: str, project_uuid: str) -> Protein:
     """
     Creates a protein from a PDB ID.
 
     :param name: The name of the protein to create
     :param code: The PDB ID of the protein to create
+    :param project_uuid: The UUID of the project to create the protein in
     :return: A Protein object representing the created protein
     :raises requests.HTTPError: if the request to the API fails
     """
@@ -207,7 +208,11 @@ def create_protein_from_pdb_id(name: str, code: str) -> Protein:
         protein_data = conversion_response.json()
 
         # Step 2: Use the converted data to create the final protein object.
-        creation_payload = {"name": name, "protein_data": protein_data, "ancestor_uuid": None}
+        creation_payload = {
+            "name": name,
+            "protein_data": protein_data,
+            "project_uuid": project_uuid,
+        }
         final_response = client.post("/protein", json=creation_payload)
         final_response.raise_for_status()
 

rowan/utils.py

@@ -19,10 +19,10 @@ def get_api_key() -> str:
 
     :return: The API key.
     """
-    if (api_key := os.environ.get("ROWAN_API_KEY")) is not None:
-        return api_key
-    elif hasattr(rowan, "api_key"):
+    if hasattr(rowan, "api_key") and rowan.api_key:
         return rowan.api_key
+    elif (api_key := os.environ.get("ROWAN_API_KEY")) is not None:
+        return api_key
 
     raise ValueError(
         "No API key provided. You can set your API key using 'rowan.api_key = <API-KEY>',"

rowan/workflow.py

@@ -52,7 +52,7 @@ class Workflow(BaseModel):
     starred: bool
     public: bool
     workflow_type: str = Field(alias="object_type")
-    data: dict[str, Any] = Field(default={}, alias="object_data")
+    data: dict[str, Any] | None = Field(default=None, alias="object_data")
     email_when_complete: bool
     max_credits: int | None = None
     elapsed: float | None = None

{rowan_python-2.0.2.dist-info → rowan_python-2.1.0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: rowan-python
-Version: 2.0.2
+Version: 2.1.0
 Summary: Rowan Python Library
 Project-URL: Homepage, https://github.com/rowansci/rowan-client
 Project-URL: Bug Tracker, https://github.com/rowansci/rowan-client/issues

rowan_python-2.1.0.dist-info/RECORD

@@ -0,0 +1,15 @@
+rowan/__init__.py,sha256=2rz6dW0l9DzawiFi6S0WSv8XlZq1CoTBKJrsJ1uesvk,171
+rowan/constants.py,sha256=ZZvv3L0b2y3dMGlWGeaRmx40J5tBrpxNxvJgjP1TNjg,37
+rowan/folder.py,sha256=n9WkjHMweQLtVcWUvCttOrmezvUdbFxam_eDEMzLF_A,6791
+rowan/project.py,sha256=ALPPkMa_cg7w5OkXno1cs6acCofw8AOUYRSeWgr3L0o,3774
+rowan/protein.py,sha256=8hVNfnrULxE0Pz8cv5AnbTr7sMWNvStfM03vZh4k7uw,7925
+rowan/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+rowan/user.py,sha256=Dl--NPUPATKCs2VmILsW8HnLiunG0Lxr0n6mKuHm21U,3891
+rowan/utils.py,sha256=907lV0fEP6BnjOWyisd3Uh8Mk5JuQMOX9QEjGi_mdew,3314
+rowan/workflow.py,sha256=LwU1iaweXseQENOHYAOQqvjNkwITZn82JHeSr4xZiTc,39505
+rowan/rowan_rdkit/__init__.py,sha256=EATX2VRzywzKxqkpCUMTf7RNQLkWsfi5VcCNDW6EIiw,503
+rowan/rowan_rdkit/chem_utils.py,sha256=i7-EmAcmvHYtc9NiZblLY_k2DoQKofAZo5KT2qtkUCI,34775
+rowan_python-2.1.0.dist-info/METADATA,sha256=uma5PV9zajHWyVBlZcOn59kRmg2jwKvyDvnVczK4drc,1598
+rowan_python-2.1.0.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
+rowan_python-2.1.0.dist-info/licenses/LICENSE,sha256=i05z7xEhyrg6f8j0lR3XYjShnF-MJGFQ-DnpsZ8yiVI,1084
+rowan_python-2.1.0.dist-info/RECORD,,

{rowan_python-2.0.2.dist-info → rowan_python-2.1.0.dist-info}/licenses/LICENSE

@@ -1,6 +1,6 @@
 The MIT License
 
-Copyright (c) Rowan (https://rowansci.com)
+Copyright (c) Rowan Scientific Corporation
 
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal

rowan_python-2.0.2.dist-info/RECORD

@@ -1,14 +0,0 @@
-rowan/__init__.py,sha256=KWt0ConmoDkmFZUk1lKO7eXFwRbaVU0oLLnYvOafLVc,148
-rowan/constants.py,sha256=ZZvv3L0b2y3dMGlWGeaRmx40J5tBrpxNxvJgjP1TNjg,37
-rowan/folder.py,sha256=n9WkjHMweQLtVcWUvCttOrmezvUdbFxam_eDEMzLF_A,6791
-rowan/protein.py,sha256=TOCsN50RaYh3Ja4GBxzH6R7qUk-Y9Xv7y1WU3buPFis,7778
-rowan/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-rowan/user.py,sha256=Dl--NPUPATKCs2VmILsW8HnLiunG0Lxr0n6mKuHm21U,3891
-rowan/utils.py,sha256=SyKvrvlgZ2BKZKRKziZdVZvV_Y4Hld77Bris0lerA9o,3296
-rowan/workflow.py,sha256=4BKDQJLVZsn65cM5SMfbub9M1GYOjF12GbdADhqaa1k,39496
-rowan/rowan_rdkit/__init__.py,sha256=EATX2VRzywzKxqkpCUMTf7RNQLkWsfi5VcCNDW6EIiw,503
-rowan/rowan_rdkit/chem_utils.py,sha256=i7-EmAcmvHYtc9NiZblLY_k2DoQKofAZo5KT2qtkUCI,34775
-rowan_python-2.0.2.dist-info/METADATA,sha256=dnQGAYLRXOsMxaKdBt5NjQBd6osWMXCDtNoTkwRjDIQ,1598
-rowan_python-2.0.2.dist-info/WHEEL,sha256=qtCwoSJWgHk21S1Kb4ihdzI2rlJ1ZKaIurTj_ngOhyQ,87
-rowan_python-2.0.2.dist-info/licenses/LICENSE,sha256=i7ehYBS-6gGmbTcgU4mgk28pyOx2kScJ0kcx8n7bWLM,1084
-rowan_python-2.0.2.dist-info/RECORD,,