Add DB posting

__main__.py

+from neomodel import config
 from pathlib import Path
 import yaml
+from to_db import post
 from general_parser import trace_files
 from maple_parser import handler_maple
 
-maple_dir = "maple"
-maple_files = ["gga_k_apbe.mpl"]
+
+def get_neo4j_settings() -> tuple[str, str, str, str]:
+    with open("config.yaml", "r") as file:
+        config = yaml.safe_load(file)
+    file.close()
+    return (
+        config["neo4j"]["user"],
+        config["neo4j"]["password"],
+        config["neo4j"]["host"],
+        config["neo4j"]["port"],
+    )
+
 
 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__():
+    # set up Neo4j connection
+    config.DATABASE_URL = "bolt://{}:{}@{}:{}".format(*get_neo4j_settings())
+
     # Parse the Maple files
     maple_dir = "{}/{}/".format(*get_libxc_settings())
-    maple_files = [str(file).split('/')[-1] for file in Path(maple_dir).rglob('*.mpl')]
+    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()
-        )
+        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]}")
+            post(triple)
+
 
 # execute the main function
 if __name__ == "__main__":

general_parser.py

@@ -16,7 +16,7 @@ FileHandler = Callable[[FileName], set[Triple]]
 
 
 def file_path_to_name(file_path: str) -> str:
-    return file_path.split("/")[-1]
+    return file_path.replace('//', '/').split("/")[-1]
 
 def read_file(file_path: str, line_processor: Callable[[str], str]) -> FileContents:
     with open(file_path, "r") as file:

to_db.py

+from neomodel import StructuredNode, StringProperty, RelationshipTo
+from general_parser import Triple
+
+
+class FileNode(StructuredNode):
+    name = StringProperty(unique_index=True, required=True)
+    # parameters defined?
+    references = RelationshipTo("FileNode", "references")
+
+
+def file_path_to_name(file_path: str) -> str:
+    return file_path.split("/")[-1]
+
+
+def post_file_reference(file_path_1: str, file_path_2: str) -> None:
+    file_1 = FileNode.get_or_create(
+        {"path": file_path_1, "name": file_path_to_name(file_path_1)}
+    )[0]
+    file_2 = FileNode.get_or_create(
+        {"path": file_path_2, "name": file_path_to_name(file_path_2)}
+    )[0]
+    file_1.references.connect(file_2)
+
+
+def post(triple: Triple):
+    if triple[2] == "FileReference":
+        post_file_reference(triple[0], triple[1])