Merge b6058a4 into c25b914

pyiron/base/job/generic.py

@@ -16,6 +16,7 @@
 from pyiron.base.job.executable import Executable
 from pyiron.base.job.jobstatus import JobStatus
 from pyiron.base.job.core import JobCore
+from pyiron.base.job.jobtype import static_isinstance
 from pyiron.base.server.generic import Server
 import subprocess
 import shutil
@@ -739,6 +740,68 @@ def send_to_database(self):
         if self.server.send_to_db:
             pass
 
+    def create_job(self, job_type, job_name):
+        """
+        Create one of the following jobs:
+        - 'StructureContainer’:
+        - ‘StructurePipeline’:
+        - ‘AtomisticExampleJob’: example job just generating random number
+        - ‘ExampleJob’: example job just generating random number
+        - ‘Lammps’:
+        - ‘KMC’:
+        - ‘Sphinx’:
+        - ‘Vasp’:
+        - ‘GenericMaster’:
+        - ‘SerialMaster’: series of jobs run in serial
+        - ‘AtomisticSerialMaster’:
+        - ‘ParallelMaster’: series of jobs run in parallel
+        - ‘KmcMaster’:
+        - ‘ThermoLambdaMaster’:
+        - ‘RandomSeedMaster’:
+        - ‘MeamFit’:
+        - ‘Murnaghan’:
+        - ‘MinimizeMurnaghan’:
+        - ‘ElasticMatrix’:
+        - ‘ConvergenceVolume’:
+        - ‘ConvergenceEncutParallel’:
+        - ‘ConvergenceKpointParallel’:
+        - ’PhonopyMaster’:
+        - ‘DefectFormationEnergy’:
+        - ‘LammpsASE’:
+        - ‘PipelineMaster’:
+        - ’TransformationPath’:
+        - ‘ThermoIntEamQh’:
+        - ‘ThermoIntDftEam’:
+        - ‘ScriptJob’: Python script or jupyter notebook job container
+        - ‘ListMaster': list of jobs
+
+        Args:
+            job_type (str): job type can be ['StructureContainer’, ‘StructurePipeline’, ‘AtomisticExampleJob’,
+                                             ‘ExampleJob’, ‘Lammps’, ‘KMC’, ‘Sphinx’, ‘Vasp’, ‘GenericMaster’,
+                                             ‘SerialMaster’, ‘AtomisticSerialMaster’, ‘ParallelMaster’, ‘KmcMaster’,
+                                             ‘ThermoLambdaMaster’, ‘RandomSeedMaster’, ‘MeamFit’, ‘Murnaghan’,
+                                             ‘MinimizeMurnaghan’, ‘ElasticMatrix’, ‘ConvergenceVolume’,
+                                             ‘ConvergenceEncutParallel’, ‘ConvergenceKpointParallel’, ’PhonopyMaster’,
+                                             ‘DefectFormationEnergy’, ‘LammpsASE’, ‘PipelineMaster’,
+                                             ’TransformationPath’, ‘ThermoIntEamQh’, ‘ThermoIntDftEam’, ‘ScriptJob’,
+                                             ‘ListMaster']
+            job_name (str): name of the job
+
+        Returns:
+            GenericJob: job object depending on the job_type selected
+        """
+        job = self.project.create_job(job_type=job_type, job_name=job_name)
+        if static_isinstance(obj=job.__class__,
+                             obj_type=['pyiron.base.master.parallel.ParallelMaster',
+                                       'pyiron.base.master.serial.SerialMasterBase',
+                                       'pyiron.atomistic.job.interactivewrapper.InteractiveWrapper']):
+            job.ref_job = self
+            if self.server.run_mode.non_modal:
+                job.server.run_mode.non_modal = True
+            elif self.server.run_mode.interactive or self.server.run_mode.interactive_non_modal:
+                job.server.run_mode.interactive = True
+        return job
+
     def update_master(self):
         """
         After a job is finished it checks whether it is linked to any metajob - meaning the master ID is pointing to
@@ -901,24 +964,6 @@ def restart(self, snapshot=-1, job_name=None, job_type=None):
         new_ham._restart_file_dict = dict()
         return new_ham
 
-    def create_job(self, job_type, job_name):
-        """
-        Create one of the following jobs:
-        - 'ExampleJob': example job just generating random number
-        - 'SerialMaster': series of jobs run in serial
-        - 'ParallelMaster': series of jobs run in parallel
-        - 'ScriptJob': Python script or jupyter notebook job container
-        - 'ListMaster': list of jobs
-
-        Args:
-            job_type (str): job type can be ['ExampleJob', 'SerialMaster', 'ParallelMaster', 'ScriptJob', 'ListMaster']
-            job_name (str): name of the job
-
-        Returns:
-            GenericJob: job object depending on the job_type selected
-        """
-        return self.project.create_job(job_type=job_type, job_name=job_name)
-
     def _copy_restart_files(self):
         """
         Internal helper function to copy the files required for the restart job.

pyiron/base/job/jobtype.py

@@ -135,6 +135,16 @@ def __new__(cls, class_name, project, job_name, job_class_dict):
 
     @staticmethod
     def convert_str_to_class(job_class_dict, class_name):
+        """
+        convert the name of a class to the corresponding class object - only for pyiron internal classes.
+
+        Args:
+            job_class_dict (dict):
+            class_name (str):
+
+        Returns:
+            (class):
+        """
         job_type_lst = class_name.split(".")
         if len(job_type_lst) > 1:
             class_name = class_name.split()[-1][1:-2]
@@ -150,4 +160,23 @@ def convert_str_to_class(job_class_dict, class_name):
 
 
 def static_isinstance(obj, obj_type):
-    return obj_type in ['.'.join([subcls.__module__, subcls.__name__]) for subcls in obj.__mro__]
+    """
+    A static implementation of isinstance() - instead of comparing an object and a class, the object is compared to a
+    string, like 'pyiron.base.job.generic.GenericJob' or a list of strings.
+
+    Args:
+        obj: the object to check
+        obj_type (str/list): object type as string or a list of object types as string.
+
+    Returns:
+        bool: [True/False]
+    """
+    if not hasattr(obj, '__mro__'):
+        obj = obj.__class__
+    obj_class_lst = ['.'.join([subcls.__module__, subcls.__name__]) for subcls in obj.__mro__]
+    if isinstance(obj_type, list):
+        return any([obj_type_element in obj_class_lst for obj_type_element in obj_type])
+    elif isinstance(obj_type, str):
+        return obj_type in obj_class_lst
+    else:
+        raise TypeError()

tests/base/job/test_jobtype.py

@@ -0,0 +1,14 @@
+import unittest
+from pyiron.base.job.jobtype import static_isinstance
+
+
+class TestJobType(unittest.TestCase):
+    def test_static_isinstance(self):
+        self.assertTrue(static_isinstance(obj=list(), obj_type=['builtins.list', '__builtin__.list']))
+        self.assertTrue(any([static_isinstance(obj=list(), obj_type='builtins.list'),
+                             static_isinstance(obj=list(), obj_type='__builtin__.list')]))
+        self.assertRaises(TypeError, static_isinstance, list(), 1)
+
+
+if __name__ == '__main__':
+    unittest.main()