Varyrun example and test

examples/data/large_tokamak_varyrun_IN.DAT

@@ -141,7 +141,7 @@ sig_tf_wp_max    = 7.5E8 * Allowable maximum shear stress in TF coil conduit (Tr
 *---------------------*
 icc = 5
 ixc = 6 * nd_plasma_electrons_vol_avg [m-3]
-nd_plasma_electrons_vol_avg = 8E20
+nd_plasma_electrons_vol_avg = 6E19
 
 * Neutron wall load upper limit *
 *-------------------------------*

examples/vary_run_example.ex.py

@@ -100,6 +100,7 @@
 # %autoreload 2
 
 import os
+import re
 import shutil
 import tempfile
 from pathlib import Path
@@ -108,6 +109,7 @@
 from process.core.repository import get_process_root
 from process.main import VaryRun
 
+# %%
 # Path to files
 data_dir = get_process_root() / "../examples/data/"
 conf_file = data_dir / "run_process.conf"
@@ -132,6 +134,21 @@
 vary_run.run()
 os.chdir(cwd)
 
+# %%
+# Find the final file created, as this file converges
+# VaryRun will raise an error if it does not find a converging input file
+# within the maximum number of iterations
+path_to_varyrun_files = Path(temp_dir.name)
+
+in_dats_created = [
+    file.name
+    for file in path_to_varyrun_files.iterdir()
+    if re.match(r"([0-9]+)_IN.DAT", file.name) is not None
+]
+
+final_file_prefix = max(int(name.strip("_IN.DAT")) for name in in_dats_created)
+converging_in_dat = str(final_file_prefix) + "_IN.DAT"
+
 # %%
 # Get the initial values from the original input file
 iteration_variable_names, original_iteration_variable_values = (
@@ -142,13 +159,14 @@
 # VaryRun always produces a file called IN.DAT in the same directory
 # as the conf file
 _, updated_iteration_variable_values = get_mfile_initial_ixc_values(
-    Path(temp_dir.name) / "2_IN.DAT", vary_run.data
+    path_to_varyrun_files / converging_in_dat, vary_run.data
 )
 
 # %% [markdown]
 # ## Compare iteration variable values
 #
-# `VaryRun` has changed the values of some iteration variables.
+# `VaryRun` has found a converging input file and has changed the initial values of the
+# iteration variables:
 
 # %%
 import pandas as pd

process/core/io/vary_run/config.py

@@ -14,6 +14,7 @@
 from numpy.random import default_rng
 
 from process.core.data_structure.base import DataStructure
+from process.core.exceptions import ProcessError
 from process.core.io.in_dat import InDat
 from process.core.io.mfile import MFile
 from process.core.io.vary_run.tools import (
@@ -262,7 +263,14 @@ def create_readme(self):
             Path(self.wdir, "README.txt").write_text(self.comment)
 
     def error_status2readme(self, mfile):
-        """Appends PROCESS outcome to README.txt if reached maximum iterations"""
+        """Appends PROCESS outcome to README.txt if reached maximum iterations
+
+        Raises
+        ------
+        ProcessError
+            If VaryRun does not find a converging IN.DAT within the maximum
+            number of iterations
+        """
         m_file = MFile(filename=self.wdir / mfile)
 
         try:
@@ -298,6 +306,8 @@ def error_status2readme(self, mfile):
             with open(Path(self.wdir, "README.txt"), "a") as readme:
                 readme.write(error_status)
             print(ifail_msg)
+        if ifail != SolverOutputCondition.CONVERGED:
+            raise ProcessError(ifail_msg)
 
     def modify_in_dat(self):
         """Modifies the original IN.DAT file"""

tests/integration/data/run_process.conf

@@ -22,18 +22,3 @@ FACTOR = 1.5
 
 * Number of allowed unfeasible points that do not trigger rerunning.
 NO_ALLOWED_UNFEASIBLE = 0
-
-* include a summary file with the iteration variables at each stage.
-INCLUDE_ITERVAR_DIFF = True
-
-* add iteration variables - comma separated
-ADD_IXC =
-
-* remove iteration variables - comma separated
-DEL_IXC =
-
-* add constraint equations  - comma separated
-ADD_ICC =
-
-* remove constraint equations - comma separated
-DEL_ICC =