added flexibility

python/helpers.py

@@ -0,0 +1,77 @@
+from __future__ import annotations
+
+import pathlib
+import re
+import subprocess
+from itertools import product
+
+def prepare_rw_parameter(parameter: dict) -> list:
+    """
+    Converts a dictionary of iterables to list of dictionaries
+
+    Example:
+    If Input is {'a': [1, 2, 3], 'b' = [4, 5]}, output is cartesian product of dictionary values, i.e.,
+    [{'a': 1, 'b': 4}, {'a': 1, 'b': 5}, {'a': 2, 'b': 4}, {'a': 2, 'b': 5}, {'a': 3, 'b': 4}, {'a': 3, 'b': 5}]
+
+    :param parameter: dictionary of list values
+    :return: list of dictionaries
+    """
+    output = {}
+    for k, v in parameter.items():
+        if isinstance(v, (float, int)):
+            v = [v]
+
+        output[k] = v
+
+    output = list(dict(zip(parameter.keys(), step)) for step in product(*output.values()))
+
+    return output
+
+
+def run_sims(
+        motion: str,
+        distribution: str,
+        ste: bool = True,
+        spectrum: bool = False,
+        exec_file: str = './rwsim',
+        config_file: str = './config.txt',
+        **kwargs
+) -> None:
+
+    # set positional arguments
+    arguments = [exec_file, config_file, motion, distribution]
+
+    if ste:
+        arguments += ['--ste']
+    if spectrum:
+        arguments += ['--spectrum']
+
+    # add optional parameters that overwrite those given by config file
+    for k, v in kwargs.items():
+        arguments += [f'-{k.upper()}', f'{v}']
+
+    subprocess.run(arguments)
+
+
+def find_config_file(var_params: dict) -> pathlib.Path:
+    # TODO handle situation if multiple files fit
+    pattern = re.compile('|'.join(([f'{k}={v:1.6e}' for (k, v) in var_params.items()])).replace('.', '\.').replace('+', '\+'))
+
+    for p_file in pathlib.Path('.').glob('*_parameter.txt'):
+        if len(re.findall(pattern, str(p_file))) == len(var_params):
+            return p_file
+
+
+def read_parameter_file(path: str | pathlib.Path) -> dict[str, float]:
+    path = pathlib.Path(path)
+    if not path.exists():
+        raise ValueError(f"No parameter file found at {path}")
+
+    parameter_dict = {}
+    with path.open('r') as f:
+        for line in f.readlines():
+            k, v = line.split('=')
+            parameter_dict[k] = float(v)
+
+            k, v = line.split('=')
+    return parameter_dict