Merge branch 'development' into release/v0.1.0

src/pymatlib/core/alloy.py

@@ -115,6 +115,12 @@ class Alloy:
                 - If solidus temperature is greater than liquidus temperature.
                 - If temperatures are outside the general range for alloys (450 K to 2000 K).
         """
+        if not isinstance(self.temperature_solidus, float):
+            raise AlloyTemperatureError(f"Solidus temperature must be a float, "
+                                        f"got {type(self.temperature_solidus).__name__}.")
+        if not isinstance(self.temperature_liquidus, float):
+            raise AlloyTemperatureError(f"Liquidus temperature must be a float, "
+                                        f"got {type(self.temperature_liquidus).__name__}.")
         if self.temperature_solidus > self.temperature_liquidus:
             raise AlloyTemperatureError("The solidus temperature must be less than or equal to the liquidus temperature.")
         if not (450 <= self.temperature_solidus <= 1900):

src/pymatlib/core/data_handler.py

@@ -239,7 +239,7 @@ def read_data_from_file(file_config: Union[str, Dict], header: bool = True) -> T
             temp = df[temp_col].to_numpy(dtype=np.float64)
         else:
             raise ValueError(f"Temperature column '{temp_col}' not found in file. "
-                             f"Available columns: {', '.join(df.columns)}")
+                             f"\n -> Available columns: {', '.join(df.columns)}")
     else:
         if temp_col >= len(df.columns):
             raise ValueError(f"Temperature column index {temp_col} out of bounds (file has {len(df.columns)} columns)")
@@ -250,7 +250,7 @@ def read_data_from_file(file_config: Union[str, Dict], header: bool = True) -> T
             prop = df[prop_col].to_numpy(dtype=np.float64)
         else:
             raise ValueError(f"Property column '{prop_col}' not found in file. "
-                             f"Available columns: {', '.join(df.columns)}")
+                             f"\n -> Available columns: {', '.join(df.columns)}")
     else:
         if prop_col >= len(df.columns):
             raise ValueError(f"Property column index {prop_col} out of bounds (file has {len(df.columns)} columns)")

src/pymatlib/data/alloys/SS304L/SS304L.yaml

@@ -125,8 +125,8 @@ composition:
   Ni: 0.0806
   Fe: 0.70695
 
-solidus_temperature: 1605
-liquidus_temperature: 1735
+solidus_temperature: 1605.
+liquidus_temperature: 1735.
 
 
 properties:

src/pymatlib/data/alloys/SS304L/SS304L_comprehensive.yaml

@@ -7,12 +7,12 @@ composition:
   Mo: 0.025
   Mn: 0.010
 
-solidus_temperature: 1605
-liquidus_temperature: 1735
+solidus_temperature: 1605.
+liquidus_temperature: 1735.
 
 properties:
   # 1. Constant float property
-  density: 7950.  # kg/m³
+  density: compute  # kg/m³
 
   # 2.1 File-based property (simple format)
   heat_conductivity: ./heat_conductivity_temperature.txt