- first callable builder for the LC; a bit hardcoded for now

ammap/callableBuilders/LCdensity.py

@@ -0,0 +1,102 @@
+"""This module is a script that reads the AMMap configuration YAML file and if it detects ``type: LC density`` under 
+the ``constraints`` key, it will proceed further. It will read the ``name`` key, append it with truncated (6 
+characters) hash of the YAML file, append it with list of elements forming the elemental spcae, and use it as the 
+name and if the directory with the name does not exist under the ``ammap/callables`` directory, it will create one 
+and also create a ``__init__.py`` file to make it a package. It will then read the ``ammap/templates/LCdensity.py``, 
+prepend it with constants based on the YAML file, and write it to the output directory.
+"""
+from ruamel.yaml import YAML
+import os
+import hashlib
+import shutil
+from pathlib import Path
+import sys
+
+# Read the AMMap configuration YAML file in a safe way
+yaml = YAML(typ='safe')
+with open(sys.argv[1], 'r') as f:
+    data = yaml.load(f)
+
+def constructCallable(name: str, hash: str, data: dict):
+    """Constructs the callable based on the name, hash, and data.
+
+    Args:
+        name: The name of the callable extracted from the YAML file.
+        hash: The truncated hash of the YAML file. Uses the default hashlib hashing algorithm (SHA256).
+        data: The data from the YAML file needed to set up the callable, including the elemental space components
+            and constraint min / max values to be enforced when evaluating the feasibility of a point.
+    """
+    # Extract the elements from the data and verify compliance
+    elements = data['elements']
+    assert isinstance(elements, list), 'Elements key must be a list'
+    assert all(isinstance(element, str) for element in elements), 'Elements key must be a list of strings'
+    assert len(elements) > 0, 'Elements key must have at least one element'
+
+    # Construct the output directory name
+    output = f"{name}_{hash}_{''.join(elements)}"
+    print(f"Constructing the callable: {output}")
+
+    # Check if the directory exists, if not create it
+    if not os.path.exists(f'ammap/callables/{output}'):
+        os.makedirs(f'ammap/callables/{output}')
+        Path(f'ammap/callables/{output}/__init__.py').touch()
+
+    # Read the template file
+    with open('ammap/templates/LCdensity.py', 'r') as f:
+        template = f.read()
+
+    # Prepend the template with the constants based on the YAML file
+    payload = f"# Constants based on the YAML file\n"
+    if 'min' in data:
+        payload += f"MIN = {data['min']}\n"
+    if 'max' in data:
+        payload += f"MAX = {data['max']}\n"
+    if 'elements' not in data:
+        raise ValueError('No elements key found in the YAML file')
+    else:
+        payload += f"ELEMENTS = {elements}\n"
+    payload += '\n\n\n' + template
+
+    # Create the output file and write the payload
+    with open(f'ammap/callables/{output}/LCdensity.py', 'w') as f:
+        f.write(payload)
+
+# Check if the constraints key is present in the YAML file. Exit happily if not found.
+if 'constraints' not in data:
+    print('No constraints key found in the YAML file')
+    sys.exit(0)
+
+# Check if the LC density constraint is present in the YAML file. Exit happily if not found but raise an error if more than one is found.
+constraintMatch = [constraint['type'].lower().replace(' ', '') == 'lcdensity' for constraint in data['constraints']]
+if not any(constraintMatch):
+    print('No LC density constraint found in the YAML file')
+    sys.exit(0)
+elif sum(constraintMatch) > 1:
+    raise ValueError('More than one LC density constraint found in the YAML file')
+else:
+    pass
+
+# Check if the `elementalSpaces` list is present, is a list, and has at least one element. Exit with an error if not.
+if 'elementalSpaces' not in data:
+    raise ValueError('No elementalSpaces key found in the YAML file')
+elif not isinstance(data['elementalSpaces'], list):
+    raise ValueError('elementalSpaces key must be a list')
+elif len(data['elementalSpaces']) == 0:
+    raise ValueError('elementalSpaces key must have at least one element')
+
+# For each item under the `elementalSpaces` key, extract key information, elements, and construct the callable.
+constraintIndex = constraintMatch.index(True)
+constraint = data['constraints'][constraintIndex]
+name = data['name']
+hash = hashlib.sha256(str(data).encode()).hexdigest()[:6]
+
+for es in data['elementalSpaces']:
+    data = {'elements': es['elements']}
+    if 'min' in constraint:
+        data.update({'min': constraint['min']})
+    if 'max' in constraint:
+        data.update({'max': constraint['max']})
+    constructCallable(name, hash, data)
+
+
+