add property mapping

app.py

@@ -34,8 +34,7 @@ except ImportError:
 # ============= PROPERTY CONFIGURATION =============
 
 # Load property mapping
-PROPERTY_MAPPING_PATH = Path(__file__).parent.parent / "train_model" / "cleaned" / "property_mapping.json"
-with open(PROPERTY_MAPPING_PATH, 'r') as f:
+with open('property_mapping.json', 'r') as f:
     PROPERTY_MAPPING = json.load(f)
 
 # Filter out Gas Transport Properties

property_mapping.json

@@ -0,0 +1,127 @@
+{
+  "Egc": {
+    "full_name": "Bandgap (chain)",
+    "unit": "eV",
+    "category": "Electronic Properties"
+  },
+  "Egb": {
+    "full_name": "Bandgap (bulk)",
+    "unit": "eV",
+    "category": "Electronic Properties"
+  },
+  "Eea": {
+    "full_name": "Electron affinity",
+    "unit": "eV",
+    "category": "Electronic Properties"
+  },
+  "Ei": {
+    "full_name": "Ionization energy",
+    "unit": "eV",
+    "category": "Electronic Properties"
+  },
+  "eps": {
+    "full_name": "Dielectric constant",
+    "unit": "dimensionless",
+    "category": "Dielectric & Optical Properties"
+  },
+  "nc": {
+    "full_name": "Refractive index",
+    "unit": "dimensionless",
+    "category": "Dielectric & Optical Properties"
+  },
+  "Tg": {
+    "full_name": "Glass transition temperature",
+    "unit": "\u00b0C",
+    "category": "Thermal Properties"
+  },
+  "Tm": {
+    "full_name": "Melting temperature",
+    "unit": "\u00b0C",
+    "category": "Thermal Properties"
+  },
+  "Tc": {
+    "full_name": "Thermal conductivity",
+    "unit": "W/(m*K)",
+    "category": "Thermal Properties"
+  },
+  "Density": {
+    "full_name": "Density",
+    "unit": "g/cm\u00b3",
+    "category": "Physical & Thermodynamic Properties"
+  },
+  "Eat": {
+    "full_name": "Atomization energy",
+    "unit": "eV/atom",
+    "category": "Physical & Thermodynamic Properties"
+  },
+  "Cp": {
+    "full_name": "Heat capacity (constant pressure)",
+    "unit": "cal/(g*\u00b0C)",
+    "category": "Physical & Thermodynamic Properties"
+  },
+  "Cv": {
+    "full_name": "Heat capacity (constant volume)",
+    "unit": "cal/(g*\u00b0C)",
+    "category": "Physical & Thermodynamic Properties"
+  },
+  "FFV": {
+    "full_name": "Fractional free volume",
+    "unit": "dimensionless",
+    "category": "Physical & Thermodynamic Properties"
+  },
+  "Rg": {
+    "full_name": "Radius of gyration",
+    "unit": "\u00c5 or nm",
+    "category": "Physical & Thermodynamic Properties"
+  },
+  "Xc": {
+    "full_name": "Crystallization tendency",
+    "unit": "%",
+    "category": "Physical & Thermodynamic Properties"
+  },
+  "He": {
+    "full_name": "Helium gas permeability",
+    "unit": "Barrer",
+    "category": "Permeability Properties"
+  },
+  "H2": {
+    "full_name": "Hydrogen gas permeability",
+    "unit": "Barrer",
+    "category": "Permeability Properties"
+  },
+  "CO2": {
+    "full_name": "Carbon dioxide gas permeability",
+    "unit": "Barrer",
+    "category": "Permeability Properties"
+  },
+  "N2": {
+    "full_name": "Nitrogen gas permeability",
+    "unit": "Barrer",
+    "category": "Permeability Properties"
+  },
+  "O2": {
+    "full_name": "Oxygen gas permeability",
+    "unit": "Barrer",
+    "category": "Permeability Properties"
+  },
+  "CH4": {
+    "full_name": "Methane gas permeability",
+    "unit": "Barrer",
+    "category": "Permeability Properties"
+  },
+  "D": {
+    "full_name": "Gas diffusion coefficient",
+    "unit": "cm\u00b2/s",
+    "category": "Gas Transport Properties"
+  },
+  "P": {
+    "full_name": "Gas permeability coefficient",
+    "unit": "cm\u00b3(STP)cm/(cm\u00b2*s*Pa)",
+    "category": "Gas Transport Properties"
+  },
+  "S": {
+    "full_name": "Gas solubility coefficient",
+    "unit": "cm\u00b3(STP)/(cm\u00b3*Pa)",
+    "category": "Gas Transport Properties"
+  }
+}