Merge branch 'main' of https://github.com/waikato-ahuora-smart-energy…

…-systems/PropertyPackages

Initial_gen/build_data_files.py

@@ -0,0 +1,32 @@
+import xml.etree.ElementTree as ET
+import os
+
+"""
+Splits chemsep1 and chemsep2 into
+individual compound files.
+"""
+
+def build(filename):
+    # Parse the XML file
+    tree = ET.parse(filename)
+    root = tree.getroot()
+    for child in root:
+        child_elem = child.find("CompoundID")
+        child_name = child_elem.get("value").lower()
+        child_elem.set('value', child_name)
+        if child_name is not None:
+            tree = ET.ElementTree(child)
+            tree.write(f"data/data_files/{child_name}.xml")
+
+def run():
+    # Remove all files in the directory
+    data_directory = "data/data_files"
+    for fname in os.listdir(data_directory):
+        file_path = os.path.join(data_directory, fname)
+        os.remove(file_path)
+
+    # Build from XML files
+    build("data/chemsep/chemsep1.xml")
+    build("data/chemsep/chemsep2.xml")
+
+run()