Merge pull request #275 from pyiron/type_hints

Add type hints

pysqa/cmd.py

@@ -2,12 +2,15 @@
 import json
 import os
 import sys
+from typing import Optional
 
 from pysqa.queueadapter import QueueAdapter
 from pysqa.utils.execute import execute_command
 
 
-def command_line(arguments_lst=None, execute_command=execute_command):
+def command_line(
+    arguments_lst: Optional[list] = None, execute_command: callable = execute_command
+):
     """
     Parse the command line arguments.
 

pysqa/executor/backend.py

@@ -1,4 +1,5 @@
 import os
+from typing import Optional
 import sys
 
 from pympipool.mpi import PyMPIExecutor
@@ -10,7 +11,9 @@
 )
 
 
-def execute_files_from_list(tasks_in_progress_dict, cache_directory, executor):
+def execute_files_from_list(
+    tasks_in_progress_dict: dict, cache_directory: str, executor
+):
     file_lst = os.listdir(cache_directory)
     for file_name_in in file_lst:
         key = file_name_in.split(".in.pl")[0]
@@ -37,7 +40,7 @@ def execute_files_from_list(tasks_in_progress_dict, cache_directory, executor):
             )
 
 
-def execute_tasks(cores, cache_directory):
+def execute_tasks(cores: int, cache_directory: str):
     tasks_in_progress_dict = {}
     with PyMPIExecutor(
         max_workers=cores,
@@ -58,7 +61,7 @@ def execute_tasks(cores, cache_directory):
             )
 
 
-def command_line(arguments_lst=None):
+def command_line(arguments_lst: Optional[list] = None):
     if arguments_lst is None:
         arguments_lst = sys.argv[1:]
     cores_arg = arguments_lst[arguments_lst.index("--cores") + 1]

pysqa/executor/executor.py

@@ -1,5 +1,6 @@
 import os
 import queue
+from typing import Optional
 from concurrent.futures import Future, Executor as FutureExecutor
 
 from pympipool.shared import cancel_items_in_queue, RaisingThread
@@ -12,7 +13,12 @@
 
 
 class Executor(FutureExecutor):
-    def __init__(self, cwd=None, queue_adapter=None, queue_adapter_kwargs=None):
+    def __init__(
+        self,
+        cwd: Optional[str] = None,
+        queue_adapter=None,
+        queue_adapter_kwargs: Optional[dict] = None,
+    ):
         self._task_queue = queue.Queue()
         self._memory_dict = {}
         self._cache_directory = os.path.abspath(os.path.expanduser(cwd))
@@ -42,7 +48,7 @@ def __init__(self, cwd=None, queue_adapter=None, queue_adapter_kwargs=None):
         )
         self._process.start()
 
-    def submit(self, fn, *args, **kwargs):
+    def submit(self, fn: callable, *args, **kwargs):
         funct_dict = serialize_funct(fn, *args, **kwargs)
         key = list(funct_dict.keys())[0]
         if key not in self._memory_dict.keys():
@@ -53,7 +59,7 @@ def submit(self, fn, *args, **kwargs):
             self._task_queue.put({key: self._memory_dict[key]})
         return self._memory_dict[key]
 
-    def shutdown(self, wait=True, *, cancel_futures=False):
+    def shutdown(self, wait: bool = True, *, cancel_futures: bool = False):
         if cancel_futures:
             cancel_items_in_queue(que=self._task_queue)
         self._task_queue.put({"shutdown": True, "wait": wait})

pysqa/executor/helper.py

@@ -7,14 +7,14 @@
 import cloudpickle
 
 
-def deserialize(funct_dict):
+def deserialize(funct_dict: dict) -> dict:
     try:
         return {k: cloudpickle.loads(v) for k, v in funct_dict.items()}
     except EOFError:
         return {}
 
 
-def find_executed_tasks(future_queue, cache_directory):
+def find_executed_tasks(future_queue: queue.Queue, cache_directory: str):
     task_memory_dict = {}
     while True:
         task_dict = {}
@@ -32,13 +32,15 @@ def find_executed_tasks(future_queue, cache_directory):
             )
 
 
-def read_from_file(file_name):
+def read_from_file(file_name: str) -> dict:
     name = file_name.split("/")[-1].split(".")[0]
     with open(file_name, "rb") as f:
         return {name: f.read()}
 
 
-def reload_previous_futures(future_queue, future_dict, cache_directory):
+def reload_previous_futures(
+    future_queue: queue.Queue, future_dict: dict, cache_directory: str
+):
     file_lst = os.listdir(cache_directory)
     for f in file_lst:
         if f.endswith(".in.pl"):
@@ -54,16 +56,16 @@ def reload_previous_futures(future_queue, future_dict, cache_directory):
                 future_queue.put({key: future_dict[key]})
 
 
-def serialize_result(result_dict):
+def serialize_result(result_dict: dict):
     return {k: cloudpickle.dumps(v) for k, v in result_dict.items()}
 
 
-def serialize_funct(fn, *args, **kwargs):
+def serialize_funct(fn: callable, *args, **kwargs):
     binary = cloudpickle.dumps({"fn": fn, "args": args, "kwargs": kwargs})
     return {fn.__name__ + _get_hash(binary=binary): binary}
 
 
-def write_to_file(funct_dict, state, cache_directory):
+def write_to_file(funct_dict: dict, state, cache_directory: str):
     file_name_lst = []
     for k, v in funct_dict.items():
         file_name = _get_file_name(name=k, state=state)

pysqa/ext/modular.py

@@ -1,14 +1,19 @@
 # coding: utf-8
 # Copyright (c) Jan Janssen
-
+from typing import Optional
 import pandas
 
 from pysqa.utils.basic import BasisQueueAdapter
 from pysqa.utils.execute import execute_command
 
 
 class ModularQueueAdapter(BasisQueueAdapter):
-    def __init__(self, config, directory="~/.queues", execute_command=execute_command):
+    def __init__(
+        self,
+        config: dict,
+        directory: str = "~/.queues",
+        execute_command: callable = execute_command,
+    ):
         super(ModularQueueAdapter, self).__init__(
             config=config, directory=directory, execute_command=execute_command
         )
@@ -26,16 +31,16 @@ def __init__(self, config, directory="~/.queues", execute_command=execute_comman
 
     def submit_job(
         self,
-        queue=None,
-        job_name=None,
-        working_directory=None,
-        cores=None,
-        memory_max=None,
-        run_time_max=None,
-        dependency_list=None,
-        command=None,
+        queue: Optional[str] = None,
+        job_name: Optional[str] = None,
+        working_directory: Optional[str] = None,
+        cores: Optional[int] = None,
+        memory_max: Optional[str] = None,
+        run_time_max: Optional[int] = None,
+        dependency_list: Optional[list[str]] = None,
+        command: Optional[str] = None,
         **kwargs,
-    ):
+    ) -> int:
         """
 
         Args:
@@ -79,7 +84,7 @@ def submit_job(
         else:
             return None
 
-    def enable_reservation(self, process_id):
+    def enable_reservation(self, process_id: int):
         """
 
         Args:
@@ -103,7 +108,7 @@ def enable_reservation(self, process_id):
         else:
             return None
 
-    def delete_job(self, process_id):
+    def delete_job(self, process_id: int):
         """
 
         Args:
@@ -127,7 +132,7 @@ def delete_job(self, process_id):
         else:
             return None
 
-    def get_queue_status(self, user=None):
+    def get_queue_status(self, user: Optional[str] = None) -> pandas.DataFrame:
         """
 
         Args:
@@ -155,11 +160,11 @@ def get_queue_status(self, user=None):
             return df[df["user"] == user]
 
     @staticmethod
-    def _resolve_queue_id(process_id, cluster_dict):
+    def _resolve_queue_id(process_id: int, cluster_dict: dict):
         cluster_queue_id = int(process_id / 10)
         cluster_module = cluster_dict[process_id - cluster_queue_id * 10]
         return cluster_module, cluster_queue_id
 
     @staticmethod
-    def _switch_cluster_command(cluster_module):
+    def _switch_cluster_command(cluster_module: str):
         return ["module", "--quiet", "swap", "cluster/{};".format(cluster_module)]