Make __main__.py work

__main__.py

+from pathlib import Path
+import yaml
+from general_parser import trace_files
+from maple_parser import handler_maple
+
+maple_dir = "maple"
+maple_files = ["gga_k_apbe.mpl"]
+
+def get_libxc_settings() -> tuple[str, str]:
+    # Read the YAML file
+    with open("config.yaml", "r") as file:
+        config = yaml.safe_load(file)
+    file.close()
+    return config["libxc"]["path"], config["libxc"]["maple"]
+
+def __main__():
+    # Parse the Maple files
+    maple_dir = "{}/{}/".format(*get_libxc_settings())
+    maple_files = [str(file).split('/')[-1] for file in Path(maple_dir).rglob('*.mpl')]
+    
+    for maple_file in maple_files:
+        triples = trace_files(
+            maple_file, maple_dir, handler_maple, triples=set()
+        )
+        for triple in triples:
+            if triple[2] == "FileReference":
+                print(f"Maple file {triple[0]} references {triple[1]}")
+                
+# execute the main function
+if __name__ == "__main__":
+    __main__()

config.yaml

@@ -5,3 +5,5 @@ neo4j:
   port: 7687
 libxc:
   path: '/home/nathan/Documents/libxc/'
+  maple: "maple/"
+  src: "src/"

general_parser.py

@@ -15,6 +15,9 @@ BlockProcessor = Callable[[Block], Triple]
 FileHandler = Callable[[FileName], set[Triple]]
 
 
+def file_path_to_name(file_path: str) -> str:
+    return file_path.split("/")[-1]
+
 def read_file(file_path: str, line_processor: Callable[[str], str]) -> FileContents:
     with open(file_path, "r") as file:
         contents = [line_processor(line) for line in file.readlines()]

maple_parser.py

@@ -7,6 +7,7 @@ from general_parser import (
     process_lines,
     read_file,
     clean_line,
+    file_path_to_name,
 )
 
 
@@ -53,10 +54,6 @@ def split_formula(formula: str) -> MapleFormula:
 
 
 # Composed, ready-made functions
-def file_path_to_name(file_path: str) -> str:
-    return file_path.split("/")[-1]
-
-
 def handler_maple(
     file_path: str,
 ) -> set[Triple]:  # decide on how to handle file_name rather than file_path