processforge 0.2.10__tar.gz → 0.2.12__tar.gz

{processforge-0.2.10/src/processforge.egg-info → processforge-0.2.12}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: processforge
-Version: 0.2.10
+Version: 0.2.12
 Summary: A Python-based process simulation framework for chemical engineering applications.
 Author-email: Process Forge Team <team@processforge.dev>
 License-Expression: BSD-3-Clause

{processforge-0.2.10 → processforge-0.2.12}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "processforge"
-version = "0.2.10"
+version = "0.2.12"
 description = "A Python-based process simulation framework for chemical engineering applications."
 readme = "README.md"
 license = "BSD-3-Clause"

{processforge-0.2.10 → processforge-0.2.12}/src/processforge/flowsheet.py

@@ -85,14 +85,16 @@ class Flowsheet:
             if not unit_class:
                 logger.error(f"Unknown unit type: {unit_type}")
                 raise ValueError(f"Unknown unit type: {unit_type}")
-            self.units[unit_name] = unit_class(
+            _UNIT_META_KEYS = {"type", "in", "out", "material", "material_mix"}
+            unit = unit_class(
                 unit_name,
-                **{
-                    k: v
-                    for k, v in unit_config.items()
-                    if k not in ["type", "in", "out"]
-                },
+                **{k: v for k, v in unit_config.items() if k not in _UNIT_META_KEYS},
             )
+            if "material" in unit_config:
+                unit.material = unit_config["material"]
+            if "material_mix" in unit_config:
+                unit.material_mix = unit_config["material_mix"]
+            self.units[unit_name] = unit
             logger.info(f"Built unit {unit_name} of type {unit_type}")
 
     def _get_unit_inlets(self, unit_name):

{processforge-0.2.10 → processforge-0.2.12}/src/processforge/schemas/flowsheet_schema.json

@@ -157,7 +157,8 @@
           "required": [
             "type",
             "in",
-            "out"
+            "out",
+            "material"
           ],
           "properties": {
             "type": {

{processforge-0.2.10 → processforge-0.2.12}/src/processforge/utils/validate_flowsheet.py

@@ -154,82 +154,82 @@ def _check_pipe_linkage(config):
 
 def _check_material_semantics(config):
     """
-    Validate OpenMC-compatible material definitions when present. No-op if absent.
+    Validate material definitions and enforce that every unit has a valid material.
 
     Checks:
-    1. density_units values are valid OpenMC units (when present).
+    1. density_units values are valid OpenMC units (when materials section is present).
     2. friendly_material_id values are unique across all materials.
     3. material_mixes component names resolve to entries in materials.
     4. material_mixes fraction sum equals 1.0 (only when all fractions are provided).
     5. Stream z-keys resolve to defined materials (when materials section is present).
-    6. Unit material field references a valid friendly_material_id (when present).
+    6. Every unit must have a material field referencing a valid friendly_material_id.
     """
-    materials = config.get("materials")
-    if not materials:
-        return True
-
-    material_mixes = config.get("material_mixes", {})
-    all_material_names = set(materials.keys())
+    materials = config.get("materials", {})
     valid_ids = {mat_def["friendly_material_id"] for mat_def in materials.values()}
 
-    # 1. density_units validity — only checked when the field is present
-    for mat_name, mat_def in materials.items():
-        units = mat_def.get("density_units")
-        if units is not None and units not in _VALID_DENSITY_UNITS:
-            raise ValueError(
-                f"❌ Material '{mat_name}' has invalid density_units '{units}'. "
-                f"Must be one of: {sorted(_VALID_DENSITY_UNITS)}"
-            )
+    if materials:
+        all_material_names = set(materials.keys())
+        material_mixes = config.get("material_mixes", {})
 
-    # 2. friendly_material_id uniqueness
-    ids = [mat_def["friendly_material_id"] for mat_def in materials.values()]
-    if len(ids) != len(set(ids)):
-        seen, dupes = set(), set()
-        for i in ids:
-            if i in seen:
-                dupes.add(i)
-            seen.add(i)
-        raise ValueError(
-            f"❌ Duplicate friendly_material_id values found: {sorted(dupes)}"
-        )
-
-    # 3 & 4. Mix component name resolution and fraction sum
-    for mix_name, mix_def in material_mixes.items():
-        fractions = []
-        for component in mix_def.get("components", []):
-            comp_name = component["name"]
-            if comp_name not in all_material_names:
+        # 1. density_units validity — only checked when the field is present
+        for mat_name, mat_def in materials.items():
+            units = mat_def.get("density_units")
+            if units is not None and units not in _VALID_DENSITY_UNITS:
                 raise ValueError(
-                    f"❌ material_mixes['{mix_name}'] references '{comp_name}', "
-                    f"which is not defined in materials."
+                    f"❌ Material '{mat_name}' has invalid density_units '{units}'. "
+                    f"Must be one of: {sorted(_VALID_DENSITY_UNITS)}"
                 )
-            if "fraction" in component:
-                fractions.append(component["fraction"])
 
-        components = mix_def.get("components", [])
-        if len(fractions) == len(components) and fractions:
-            frac_sum = sum(fractions)
-            if abs(frac_sum - 1.0) > 1e-6:
-                raise ValueError(
-                    f"❌ material_mixes['{mix_name}'] component fractions sum to "
-                    f"{frac_sum:.8f}, expected 1.0."
-                )
-
-    # 5. Stream z-keys resolve to materials
-    for stream_name, stream_def in config.get("streams", {}).items():
-        for comp_name in stream_def.get("z", {}):
-            if comp_name not in all_material_names:
-                raise ValueError(
-                    f"❌ Stream '{stream_name}' z-key '{comp_name}' is not defined in materials."
-                )
+        # 2. friendly_material_id uniqueness
+        ids = [mat_def["friendly_material_id"] for mat_def in materials.values()]
+        if len(ids) != len(set(ids)):
+            seen, dupes = set(), set()
+            for i in ids:
+                if i in seen:
+                    dupes.add(i)
+                seen.add(i)
+            raise ValueError(
+                f"❌ Duplicate friendly_material_id values found: {sorted(dupes)}"
+            )
 
-    # 6. Unit material references resolve to a valid friendly_material_id
+        # 3 & 4. Mix component name resolution and fraction sum
+        for mix_name, mix_def in material_mixes.items():
+            fractions = []
+            for component in mix_def.get("components", []):
+                comp_name = component["name"]
+                if comp_name not in all_material_names:
+                    raise ValueError(
+                        f"❌ material_mixes['{mix_name}'] references '{comp_name}', "
+                        f"which is not defined in materials."
+                    )
+                if "fraction" in component:
+                    fractions.append(component["fraction"])
+
+            components = mix_def.get("components", [])
+            if len(fractions) == len(components) and fractions:
+                frac_sum = sum(fractions)
+                if abs(frac_sum - 1.0) > 1e-6:
+                    raise ValueError(
+                        f"❌ material_mixes['{mix_name}'] component fractions sum to "
+                        f"{frac_sum:.8f}, expected 1.0."
+                    )
+
+        # 5. Stream z-keys resolve to materials
+        for stream_name, stream_def in config.get("streams", {}).items():
+            for comp_name in stream_def.get("z", {}):
+                if comp_name not in all_material_names:
+                    raise ValueError(
+                        f"❌ Stream '{stream_name}' z-key '{comp_name}' is not defined in materials."
+                    )
+
+    # 6. Every unit must reference a valid friendly_material_id
+    hint = " (no materials section defined)" if not materials else ""
     for unit_name, unit_def in config.get("units", {}).items():
         mat_id = unit_def.get("material")
-        if mat_id is not None and mat_id not in valid_ids:
+        if mat_id not in valid_ids:
             raise ValueError(
                 f"❌ Unit '{unit_name}' references material id {mat_id}, "
-                f"which does not match any friendly_material_id in materials."
+                f"which does not match any friendly_material_id in materials{hint}."
             )
 
     return True

{processforge-0.2.10 → processforge-0.2.12/src/processforge.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: processforge
-Version: 0.2.10
+Version: 0.2.12
 Summary: A Python-based process simulation framework for chemical engineering applications.
 Author-email: Process Forge Team <team@processforge.dev>
 License-Expression: BSD-3-Clause