Updated rmg_runner.py and test_rmg_runner.py

t3/runners/rmg_runner.py

@@ -49,6 +49,9 @@ def write_submit_script(project_directory: str,
         max_iterations (str, optional): Max RMG iterations, e.g., ``-m 100``.
         t3_project_name (str, optional): THe T3 project name, used for setting a job name on the server for the RMG run.
     """
+    if memory is not None and memory <= 1000:
+        raise ValueError("Memory is in MB and it is strongly recommended to set the memory above 1000")
+
     global MEM
     submit_scripts_content = submit_scripts['rmg'].format(name=f'{t3_project_name}_RMG' or 'T3_RMG',
                                                           cpus=cpus or CPUS,

tests/test_rmg_runner.py

@@ -8,12 +8,13 @@
 import os
 from t3.common import DATA_BASE_PATH, EXAMPLES_BASE_PATH
 from t3.runners.rmg_runner import write_submit_script
-
-
+import pytest
+from tests.common import run_minimal
+import shutil
 
 class TestWriteSubmitScript(object):
 
-    #Need to think of multiple cases...
+
 
     def test_minimial_write_submit_script(self):
         """Test the write_submit_script() function with minimal input.
@@ -52,6 +53,11 @@ def test_minimial_write_submit_script(self):
         os.remove(os.path.join(project_directory_path,"job.sh"))
 
     def test_minimal_project_name_included(self):
+        """
+        This test has been constructed to ensure that when the user provides a t3 project name, it will be displayed in the submit name whilst also
+        not affecting the job file.
+        """
+
         project_directory_path = os.path.join(EXAMPLES_BASE_PATH, "minimal")
         t3_proj_name = "T3_test_name"
         actual = write_submit_script(project_directory_path,
@@ -110,6 +116,9 @@ def test_minimal_project_name_included(self):
 
 
     def test_minimal_parameters_set(self):
+        """
+        This test has been built to ensure that chosen parameters by the user are being correctly written into the job and submit file
+        """
         project_directory_path = os.path.join(EXAMPLES_BASE_PATH, "minimal")
 
         ####To be edited by user if required####
@@ -170,4 +179,97 @@ def test_minimal_parameters_set(self):
         assert content_submit == expected_submit
 
         os.remove(os.path.join(project_directory_path,"job.sh"))
-        os.remove(os.path.join(project_directory_path,"submit.sub"))
+        os.remove(os.path.join(project_directory_path,"submit.sub"))
+
+    def test_minimal_incorrect_mem(self):
+        """
+        This test has been constructed to raise an assertion error due to the user specifiying the incorrent memory.
+        Memory selection for assertion error can either be less than 8000 or higher than 32000 (Subject to change) OR/AND
+        the selection of Memory may not be divisable by 1000 (Subject to change)
+        """
+        project_directory_path = os.path.join(EXAMPLES_BASE_PATH, "minimal")
+
+        ####To be edited by user if required####
+        t3_proj_name = "T3_test_name"
+        cpus = 8
+        max_iter = "-m 100"
+        mem = 850 #in MB - This is to be incorrect
+        #########################################
+
+        with pytest.raises(ValueError) as value_error:
+                    write_submit_script(project_directory_path,
+                                    cpus=cpus,
+                                    memory=mem, #in MB
+                                    verbose="-v 20",
+                                    max_iterations=max_iter,
+                                    t3_project_name= t3_proj_name)
+
+        assert "Memory is in MB and it is strongly recommended to set the memory above 1000" in str(value_error.value)
+
+
+
+    def test_run_rmg_into_write_submit_script(self):
+
+
+
+        t3 = run_minimal(iteration=1, set_paths=True)
+        t3.rmg['rmg_execution_type'] = 'local'
+
+        rmg_base_path = os.path.join(t3.project_directory, 'iteration_1','RMG')
+
+        t3.schema['t3']['options']['max_RMG_exceptions_allowed']= 0
+        os.makedirs(rmg_base_path)
+        with open(os.path.join(rmg_base_path,'RMG.log'), 'w') as rmg_log:
+            rmg_log.write("""MODEL GENERATION COMPLETED
+                          """)
+        rmg_log.close()
+
+
+        t3.run_rmg()
+
+
+        expected_bash = """#!/bin/bash -l
+
+touch initial_time
+
+source /srv01/technion/$USER/.bashrc
+
+conda activate rmg_env
+
+python-jl /Local/ce_dana/Code/RMG-Py/rmg.py -n 10 input.py
+
+touch final_time
+
+"""
+        expected_submit = """Universe      = vanilla
+
++JobName      = "T3_minimal_example_RMG"
+
+log           = job.log
+output        = out.txt
+error         = err.txt
+
+getenv        = True
+
+should_transfer_files = no
+
+executable = job.sh
+
+request_cpus  = 10
+request_memory = 25000MB
+
+queue
+
+"""
+
+        assert os.path.isfile(os.path.join(rmg_base_path,"job.sh")) == True
+        assert os.path.isfile(os.path.join(rmg_base_path, "submit.sub")) == True
+        with open(os.path.join(rmg_base_path,"job.sh"),"r") as bash_file:
+            content_bash = bash_file.read()
+        assert content_bash == expected_bash
+
+        with open(os.path.join(rmg_base_path,"submit.sub"),"r") as submit_file:
+            content_submit = submit_file.read()
+        assert content_submit == expected_submit
+
+        shutil.rmtree(os.path.join(t3.project_directory))