webmo 1.3.2__tar.gz → 1.3.3__tar.gz

{webmo-1.3.2/webmo.egg-info → webmo-1.3.3}/PKG-INFO

@@ -1,9 +1,9 @@
 Metadata-Version: 2.1
 Name: webmo
-Version: 1.3.2
+Version: 1.3.3
 Summary: A Python-based interface to WebMO
 Home-page: https://github.com/jrschmidt2/webmo-python
-Download-URL: https://github.com/jrschmidt2/webmo-python/archive/refs/tags/1.3.2.tar.gz
+Download-URL: https://github.com/jrschmidt2/webmo-python/archive/refs/tags/1.3.3.tar.gz
 Author: J.R. Schmidt
 Author-email: schmidt@webmo.net
 License: MIT
@@ -11,4 +11,5 @@ Keywords: WEBMO,REST,API
 Provides-Extra: spectrum
 Provides-Extra: util
 Provides-Extra: gui
+Provides-Extra: all
 License-File: LICENSE

{webmo-1.3.2 → webmo-1.3.3}/setup.py

@@ -35,6 +35,7 @@ setup(
   extras_require={
       "spectrum": ["numpy"],
       "util": ["PubChemPy"],
-      "gui": ["questionary", "ipywidgets"]
+      "gui": ["questionary", "ipywidgets"],
+      "all": ["numpy", "PubChemPy", "questionary", "ipywidgets"]
   }
 )

{webmo-1.3.2 → webmo-1.3.3}/webmo/__init__.py

@@ -1,2 +1,2 @@
 from .webmo_rest import WebMOREST
-__version__ = "1.3.2"
+__version__ = "1.3.3"

{webmo-1.3.2 → webmo-1.3.3}/webmo/webmo_rest.py

@@ -16,7 +16,7 @@ class WebMOREST:
     creation/destruction.
     """
     
-    def __init__(self, base_url, username, password=""):
+    def __init__(self, base_url, username, password="", expiration=24):
         """Constructor for WebMOREST
         
         This constructor generates a WebMOREST object and also generates and stores a newly
@@ -26,6 +26,7 @@ class WebMOREST:
             base_url(str): The base URL (ending in rest.cgi) of the WeBMO rest endpoint
             username(str): The WebMO username
             password(str, optional): The WebMO password; if omitted, this is supplied interactively
+            expiration(int, optional): The expiration time (in hours) of the REST session token
             
         Returns:
             object: The newly constructed WebMO object
@@ -36,7 +37,7 @@ class WebMOREST:
         if not password:
             password=getpass(prompt="Enter WebMO password for user %s:" % username)
         #obtain a REST token using the specified credentials
-        login={'username' : username, 'password' : password} #WebMO login information, used to retrieve a REST access token
+        login={'username' : username, 'password' : password, 'expiration' : expiration}
         r = requests.post(base_url + '/sessions', data=login)
         r.raise_for_status() #raise an exception if there is a problem with the request
         
@@ -315,7 +316,7 @@ class WebMOREST:
         r = requests.delete(self._base_url + "/jobs/%d" % job_number, params=self._auth)
         r.raise_for_status()
         
-    def import_job(self, job_name, filename, engine):
+    def import_job(self, job_name, output_filename, engine):
         """Imports an existing output file into WebMO
         
         This call imports an existing computational output file, parsing the output and creating a newly
@@ -323,7 +324,7 @@ class WebMOREST:
         
         Arguments:
             job_name(str): The name of the new WebMO job
-            filename(str): The filename (full path) of an existing output file to import
+            output_filename(str): The filename (full path) of an existing output file to import
             engine(str): The name of the computational engine
             
         Returns:
@@ -332,12 +333,12 @@ class WebMOREST:
         
         params = self._auth.copy()
         params.update({'jobName' : job_name, 'engine' : engine})
-        output_file = {'outputFile' : ('output.log', open(filename, 'rb'), 'text/plain')}
+        output_file = {'outputFile' : ('output.log', open(output_filename, 'rb'), 'text/plain')}
         r = requests.post(self._base_url + '/jobs', data=params, files=output_file)
         r.raise_for_status()
         return r.json()["jobNumber"]
         
-    def submit_job(self, job_name, input_file_contents, engine, queue=None, nodes=1, ppn=1, **kwargs):
+    def submit_job(self, job_name, input_contents, engine, queue=None, nodes=1, ppn=1, **kwargs):
         """Submits and executes a new WebMO job
         
         This call submits and executes a new job to a computational engine, generating a new WebMO job,
@@ -345,7 +346,7 @@ class WebMOREST:
         
         Arguments:
             job_name(str): The name of the new WebMO job
-            input_file_contents(str): The contents of a valid input file to submit to a computational engine
+            input_contents(str): The valid input for submission to the computational engine as its input file
             engine(str): The name of the computational engine
             queue(str, optional): The name of the queue in which to submit the job_name (required for external queues)
             nodes(int, optional): The number of nodes to use; defaults to 1
@@ -358,7 +359,7 @@ class WebMOREST:
         """
         
         params = self._auth.copy()
-        params.update({'jobName' : job_name, 'engine' : engine, 'inputFile': input_file_contents,
+        params.update({'jobName' : job_name, 'engine' : engine, 'inputFile': input_contents,
             'queue': queue, 'nodes': nodes, 'ppn': ppn, **kwargs})
         r = requests.post(self._base_url + '/jobs', data=params)
         r.raise_for_status()
@@ -415,7 +416,7 @@ class WebMOREST:
     # Engines resource
     #
     def get_engines(self, target_user=""):
-        """Fetches a list of job templates available to the current user or specified target user
+        """Fetches a list of computational engines available to the current user or specified target user
 
         This call returns a JSON-formatted list of available engines and associated queues.
 

{webmo-1.3.2 → webmo-1.3.3/webmo.egg-info}/PKG-INFO

@@ -1,9 +1,9 @@
 Metadata-Version: 2.1
 Name: webmo
-Version: 1.3.2
+Version: 1.3.3
 Summary: A Python-based interface to WebMO
 Home-page: https://github.com/jrschmidt2/webmo-python
-Download-URL: https://github.com/jrschmidt2/webmo-python/archive/refs/tags/1.3.2.tar.gz
+Download-URL: https://github.com/jrschmidt2/webmo-python/archive/refs/tags/1.3.3.tar.gz
 Author: J.R. Schmidt
 Author-email: schmidt@webmo.net
 License: MIT
@@ -11,4 +11,5 @@ Keywords: WEBMO,REST,API
 Provides-Extra: spectrum
 Provides-Extra: util
 Provides-Extra: gui
+Provides-Extra: all
 License-File: LICENSE

{webmo-1.3.2 → webmo-1.3.3}/webmo.egg-info/requires.txt

@@ -1,6 +1,12 @@
 requests
 websockets
 
+[all]
+numpy
+PubChemPy
+questionary
+ipywidgets
+
 [gui]
 questionary
 ipywidgets