Add support for partial config files

docs/configuration.md

@@ -19,6 +19,35 @@ create-config --help` for further details).
 topostats create-config
 ```
 
+## Partial configurations
+
+TopoStats supports using a partial configuration, where you specify only the fields you wish to override. This is
+useful if you only want to change a few parameters from the default configuration or would like to use a configuration
+file that is smaller and easier to read.
+
+To create a partial configuration file, simply create a new config file and delete anything you don't want to override.
+
+TopoStats will take the partial configuration file and merge it with the default configuration file, with the partial
+configuration taking precedence. This means that any fields you specify in the partial configuration will override the
+default configuration, while any fields you don't specify will be taken from the default configuration. Command-line
+arguments will override both the default and partial configurations.
+
+For example, you could use a configuration as simple as:
+
+```yaml
+base_dir: ./mydata/
+output_dir: ./myoutput/
+filter:
+  remove_scars:
+    run: true
+grains:
+  threshold_method: absolute
+  threshold_absolute:
+    above: 1.2
+  absolute_area_threshold:
+    above: [400, 1000]
+```
+
 ## Using a custom configuration
 
 If you have generated a configuration file you can modify and edit a configuration it to change the parameters (see

tests/resources/test_partial_config.yaml

@@ -0,0 +1,45 @@
+# For more information on configuration and how to use it:
+# https://afm-spm.github.io/TopoStats/main/configuration.html
+base_dir: ./ # Directory in which to search for data files
+output_dir: ./output # Directory to output results to
+log_level: info # Verbosity of output. Options: warning, error, info, debug
+cores: 2 # Number of CPU cores to utilise for processing multiple files simultaneously.
+file_ext: .spm # File extension of the data files.
+loading:
+  channel: Height # Channel to pull data from in the data files.
+filter:
+  run: true # Options : true, false
+  row_alignment_quantile: 0.5 # lower values may improve flattening of larger features
+  threshold_method: absolute # Options : otsu, std_dev, absolute
+  otsu_threshold_multiplier: 1.0
+  threshold_std_dev:
+    below: 10.0 # Threshold for data below the image background
+    above: 1.0 # Threshold for data above the image background
+  threshold_absolute:
+    below: -1.0 # Threshold for data below the image background
+    above: 1.0 # Threshold for data above the image background
+  gaussian_size: 1.0121397464510862 # Gaussian blur intensity in px
+  gaussian_mode: nearest
+grains:
+  run: true # Options : true, false
+  # Thresholding by height
+  threshold_method: std_dev # Options : std_dev, otsu, absolute, unet
+  otsu_threshold_multiplier: 1.0
+  threshold_std_dev:
+    below: 10.0 # Threshold for grains below the image background
+    above: 1.0 # Threshold for grains above the image background
+  threshold_absolute:
+    below: -1.0 # Threshold for grains below the image background
+    above: 1.0 # Threshold for grains above the image background
+  direction: above # Options: above, below, both (defines whether to look for grains above or below thresholds or both)
+  # Thresholding by area
+  smallest_grain_size_nm2: 50 # Size in nm^2 of tiny grains/blobs (noise) to remove, must be > 0.0
+  absolute_area_threshold:
+    above: [300, 3000] # above surface [Low, High] in nm^2 (also takes null)
+    below: [null, null] # below surface [Low, High] in nm^2 (also takes null)
+  remove_edge_intersecting_grains: true # Whether or not to remove grains that touch the image border
+  unet_config:
+    model_path: null # Path to a trained U-Net model
+    grain_crop_padding: 2 # Padding to apply to the grain crop bounding box
+    upper_norm_bound: 5.0 # Upper bound for normalisation of input data. This should be slightly higher than the maximum desired / expected height of grains.
+    lower_norm_bound: -1.0 # Lower bound for normalisation of input data. This should be slightly lower than the minimum desired / expected height of the background.

tests/test_entry_point.py

@@ -133,3 +133,18 @@ def test_entry_point_create_config_file(tmp_path: Path) -> None:
         ]
     )
     assert Path(f"{tmp_path}/test_create_config.yaml").is_file()
+
+
+def test_entry_point_create_simple_config_file(tmp_path: Path) -> None:
+    """Test that the entry point is able to produce a simple config file when asked to."""
+    entry_point(
+        manually_provided_args=[
+            "create-config",
+            "--filename",
+            "test_create_simple_config.yaml",
+            "--output-dir",
+            f"{tmp_path}",
+            "--simple",
+        ]
+    )
+    assert Path(f"{tmp_path}/test_create_simple_config.yaml").is_file()

tests/test_io.py

@@ -26,6 +26,7 @@
     hdf5_to_dict,
     load_array,
     load_pkl,
+    merge_mappings,
     path_to_str,
     read_64d,
     read_char,
@@ -62,6 +63,36 @@
 # pylint: disable=too-many-lines
 
 
+@pytest.mark.parametrize(
+    ("dict1", "dict2", "expected_merged_dict"),
+    [
+        pytest.param(
+            {"a": 1, "b": 2},
+            {"c": 3, "d": 4},
+            {"a": 1, "b": 2, "c": 3, "d": 4},
+            id="two dicts, no common keys",
+        ),
+        pytest.param(
+            {"a": 1, "b": 2},
+            {"b": 3, "c": 4},
+            {"a": 1, "b": 3, "c": 4},
+            id="two dicts, one common key, testing priority of second dict",
+        ),
+        # Nested dictionaries
+        pytest.param(
+            {"a": 1, "b": {"c": 2, "d": 3}},
+            {"b": {"c": 4, "e": 5}},
+            {"a": 1, "b": {"c": 4, "d": 3, "e": 5}},
+            id="nested dictionaries, one common key in nested dict, testing priority of second dict",
+        ),
+    ],
+)
+def test_merge_mappings(dict1: dict, dict2: dict, expected_merged_dict: dict) -> None:
+    """Test merging of mappings."""
+    merged_dict = merge_mappings(dict1, dict2)
+    assert merged_dict == expected_merged_dict
+
+
 def test_get_date_time() -> None:
     """Test the fetching of a formatted date and time string."""
     assert datetime.strptime(get_date_time(), "%Y-%m-%d %H:%M:%S")
@@ -97,6 +128,7 @@ def test_write_config_with_comments(tmp_path: Path, filename: str, config: str,
     args.filename = filename
     args.output_dir = tmp_path
     args.config = config
+    args.simple = False
 
     # Write default config with comments to file
     write_config_with_comments(args)

tests/test_run_topostats.py

@@ -1,16 +1,86 @@
 """Test end-to-end running of topostats."""
 
+import argparse
 import logging
 from pathlib import Path
 
 import pytest
 
 from topostats.entry_point import entry_point
 from topostats.logs.logs import LOGGER_NAME
+from topostats.run_topostats import reconcile_config_args
+from topostats.validation import DEFAULT_CONFIG_SCHEMA, validate_config
 
 BASE_DIR = Path.cwd()
 
 
+def test_reconcile_config_args_no_config() -> None:
+    """Test the handle config file function with no config."""
+    args = argparse.Namespace(
+        program="process",
+        config_file=None,
+    )
+    config = reconcile_config_args(args=args)
+
+    # Check that the config passes the schema
+    validate_config(config, schema=DEFAULT_CONFIG_SCHEMA, config_type="YAML configuration file")
+
+
+def test_reconcile_config_args_no_config_with_overrides() -> None:
+    """Test the handle config file function with no config and overrides."""
+    args = argparse.Namespace(
+        program="process",
+        config_file=None,
+        output_dir="./dummy_output_dir",
+    )
+    config = reconcile_config_args(args=args)
+
+    # Check that the overrides have been applied
+    assert config["output_dir"] == Path("./dummy_output_dir")
+    # Check that the config still passes the schema
+    validate_config(config, schema=DEFAULT_CONFIG_SCHEMA, config_type="YAML configuration file")
+
+
+def test_reconcile_config_args_full_config() -> None:
+    """Test the handle config file function with a full config."""
+    args = argparse.Namespace(program="process", config_file=f"{BASE_DIR / 'topostats' / 'default_config.yaml'}")
+
+    config = reconcile_config_args(args=args)
+
+    # Check that the config passes the schema
+    validate_config(config, schema=DEFAULT_CONFIG_SCHEMA, config_type="YAML configuration file")
+
+
+def test_reconcile_config_args_partial_config() -> None:
+    """Test the reconcile_config_args function with a partial config."""
+    args = argparse.Namespace(
+        program="process", config_file=f"{BASE_DIR / 'tests' / 'resources' / 'test_partial_config.yaml'}"
+    )
+    config = reconcile_config_args(args=args)
+
+    # Check that the partial config has overridden the default config
+    assert config["filter"]["threshold_method"] == "absolute"
+    # Check that the config still passes the schema
+    validate_config(config, schema=DEFAULT_CONFIG_SCHEMA, config_type="YAML configuration file")
+
+
+def test_reconcile_config_args_partial_config_with_overrides() -> None:
+    """Test the reconcile_config_args function with a partial config and overrides."""
+    args = argparse.Namespace(
+        program="process",
+        config_file=f"{BASE_DIR / 'tests' / 'resources' / 'test_partial_config.yaml'}",
+        output_dir="./dummy_output_dir",
+    )
+    config = reconcile_config_args(args=args)
+
+    # Check that the partial config has overridden the default config
+    assert config["filter"]["threshold_method"] == "absolute"
+    # Check that the overrides have been applied
+    assert config["output_dir"] == Path("./dummy_output_dir")
+    # Check that the config still passes the schema
+    validate_config(config, schema=DEFAULT_CONFIG_SCHEMA, config_type="YAML configuration file")
+
+
 @pytest.mark.parametrize("option", [("-h"), ("--help")])
 def test_run_topostats_main_help(capsys, option) -> None:
     """Test the -h/--help flag to run_topostats."""

topostats/default_config.yaml

@@ -1,6 +1,3 @@
-# Config file generated 2024-07-29 11:11:05
-# # For more information on configuration and how to use it:
-# https://afm-spm.github.io/TopoStats/main/configuration.html
 base_dir: ./ # Directory in which to search for data files
 output_dir: ./output # Directory to output results to
 log_level: info # Verbosity of output. Options: warning, error, info, debug

topostats/entry_point.py

@@ -300,6 +300,13 @@ def create_parser() -> arg.ArgumentParser:
         default=None,
         help="Configuration to use, currently only one is supported, the 'default'.",
     )
+    create_config_parser.add_argument(
+        "-s",
+        "--simple",
+        dest="simple",
+        action="store_true",
+        help="Create a simple configuration file with only the most common options.",
+    )
     create_config_parser.set_defaults(func=write_config_with_comments)
 
     create_matplotlibrc_parser = subparsers.add_parser(

topostats/io.py

@@ -9,10 +9,11 @@
 import pickle as pkl
 import re
 import struct
+from collections.abc import MutableMapping
 from datetime import datetime
 from importlib import resources
 from pathlib import Path
-from typing import Any
+from typing import Any, TypeVar
 
 import h5py
 import numpy as np
@@ -36,6 +37,39 @@
 # pylint: disable=broad-except
 # pylint: disable=too-many-lines
 
+MutableMappingType = TypeVar("MutableMappingType", bound="MutableMapping")
+
+
+def merge_mappings(map1: MutableMappingType, map2: MutableMappingType) -> MutableMappingType:
+    """
+    Merge two mappings (dictionaries), with priority given to the second mapping.
+
+    Note: Using a Mapping should make this robust to any mapping type, not just dictionaries. MutableMapping was needed
+    as Mapping is not a mutable type, and this function needs to be able to change the dictionaries.
+
+    Parameters
+    ----------
+    map1 : MutableMapping
+        First mapping to merge, with secondary priority.
+    map2 : MutableMapping
+        Second mapping to merge, with primary priority.
+
+    Returns
+    -------
+    dict
+        Merged dictionary.
+    """
+    # Iterate over the second mapping
+    for key, value in map2.items():
+        # If the value is another mapping, then recurse
+        if isinstance(value, MutableMapping):
+            # If the key is not in the first mapping, add it as an empty dictionary before recursing
+            map1[key] = merge_mappings(map1.get(key, {}), value)
+        else:
+            # Else simply add / override the key value pair
+            map1[key] = value
+    return map1
+
 
 # Sylvia: Ruff says too complex but I think breaking this out would be more complex.
 def dict_almost_equal(dict1: dict, dict2: dict, abs_tol: float = 1e-9):  # noqa: C901
@@ -177,7 +211,11 @@ def write_config_with_comments(args=None) -> None:
     logger_msg = "A sample configuration has been written to"
     # If no config or default is requested we load the default_config.yaml
     if args.config is None or args.config == "default":
-        config = (resources.files(__package__) / "default_config.yaml").read_text()
+        if args.simple:
+            config_path = resources.files(__package__) / "simple_config.yaml"
+        else:
+            config_path = resources.files(__package__) / "default_config.yaml"
+        config = config_path.read_text()
     elif args.config == "topostats.mplstyle":
         config = (resources.files(__package__) / "topostats.mplstyle").read_text()
         logger_msg = "A sample matplotlibrc parameters file has been written to"