processforge 0.3.12__tar.gz → 0.3.14__tar.gz

{processforge-0.3.12/src/processforge.egg-info → processforge-0.3.14}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: processforge
-Version: 0.3.12
+Version: 0.3.14
 Summary: A Python-based process simulation framework for chemical engineering applications.
 Author-email: Processforge Team <team@processforge.dev>
 License-Expression: BSD-3-Clause

processforge-0.3.14/flowsheets/custom/crimson/MUWS_HB.json

@@ -0,0 +1,216 @@
+{
+  "metadata": {
+    "name": "Make-up Water System",
+    "description": "A two-pump, five-valve, one-strainer, one tank steady-state make-up water system.",
+    "version": "2.0"
+  },
+  "providers": {
+    "coolprop": {
+      "type": "coolprop"
+    }
+  },
+  "materials": {
+    "Water": {
+      "id": 1
+    },
+    "Steel": {
+      "id": 2
+    }
+  },
+   "streams": {
+    "feed": {
+      "T": 313.00,
+      "P": 101325,
+      "flowrate": 1,
+      "z": { "Water": 1.0 }
+    }
+   },
+   
+   "units": {
+
+    "tank_1": {
+      "type": "Tank",
+      "in": ["feed", "recycle_to_tank"],
+      "out": "after_tank_1",
+      "outlet_flow": 1.0,
+      "initial_n": {
+        "Benzene": 9.0,
+        "Toluene": 1.0
+      },
+      "initial_T": 298.15,
+      "P": 101325,
+      "duty": 0.0,
+      "material": 1
+    },
+     
+  "pipe_1": {
+      "type": "Pipes",
+      "in": "after_tank_1",
+      "out": "after_pipe_1",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },    
+    "global_valve_1": {
+       "type": "Valve",
+       "in": "after_pipe_1",
+       "out": "after_global_valve_1",
+       "opening": 50,
+       "pressure_ratio": 0.5,
+       "q_flowrate": 50,
+       "material": 2
+    },
+    "pipe_2": {
+      "type": "Pipes",
+      "in": "after_global_valve_1",
+      "out": "after_pipe_2",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    
+    "low_pressure_pump":{
+       "type": "Pump",
+       "in": "after_pipe_2",
+       "out": "after_low_pressure_pump",
+       "q_flowrate": 4,
+       "head": 57,
+       "efficiency": 36,
+       "power": 1.3,
+       "cap": 2.5,
+       "motor_rating": 370,
+       "design_press": 6,
+       "material": 2,
+       "delta_p": 1000.0
+     },
+    "pipe_3": {
+      "type": "Pipes",
+      "in": "after_low_pressure_pump",
+      "out": "after_pipe_3",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "non_return_valve_1": {
+       "type": "Valve",
+       "in": "after_pipe_3",
+       "out": "after_non_return_valve_1",
+       "q_flowrate": 4,
+       "pressure_ratio": 0.5,
+       "pressure_drop": 0.72,
+       "material": 2
+    },
+    "pipe_4": {
+      "type": "Pipes",
+      "in": "after_non_return_valve_1",
+      "out": "after_pipe_4",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "strainer": {
+       "type": "Strainer",
+       "in": "after_pipe_4",
+       "out": "after_strainer",
+       "q_flowrate": 4,
+       "pressure_drop": 0.192,
+       "material": 2,       
+       "delta_p": 1000.0
+    },
+    "pipe_5": {
+      "type": "Pipes",
+      "in": "after_strainer",
+      "out": "after_pipe_5",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+     "global_valve_2": {
+       "type": "Valve",
+       "in": "after_pipe_5",
+       "out": "after_global_valve_2",
+       "opening": 50,
+       "q_flowrate": 50,
+       "material": 2,       
+       "pressure_ratio": 0.5
+    },
+    "pipe_6": {
+      "type": "Pipes",
+      "in": "after_global_valve_2",
+      "out": "after_pipe_6",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "high_pressure_pump":{
+       "type": "Pump",
+       "in": "after_pipe_6",
+       "out": "after_high_pressure_pump",
+       "q_flowrate": 35,
+       "head": 32,
+       "efficiency": 25,
+       "power": 4.75,
+       "cap": 600,
+       "discharge_press": 50,
+       "motor_rating": 7.5,
+       "relief_press": 200,
+       "material": 2,
+       "delta_p": 1000.0
+    },
+    "pipe_7": {
+      "type": "Pipes",
+      "in": "after_high_pressure_pump",
+      "out": "after_pipe_7",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+     "non_return_valve_2": {
+       "type": "Valve",
+       "in": "after_pipe_7",
+       "out": "after_non_return_valve_2",
+       "q_flowrate": 4,
+       "pressure_drop": 0.72,
+       "material": 2,       
+       "pressure_ratio": 0.5
+     },
+     "pipe_8": {
+      "type": "Pipes",
+      "in": "after_non_return_valve_2",
+      "out": "after_pipe_8",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "global_valve_3": {
+       "type": "Valve",
+       "in": "after_pipe_8",
+       "out": "after_valve_3",
+       "opening": 50,
+       "q_flowrate": 50,
+       "material": 2,
+       "pressure_ratio": 0.5
+    },
+
+
+    "pipe_9": {
+      "type": "Pipes",
+      "in": "after_valve_3",
+      "out": "recycle_to_tank",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 2
+    }
+  
+  },
+  "simulation": {
+    "mode": "dynamic",
+    "t0": 0.0,
+    "tf": 17.0,
+    "dt": 1.0,
+    "backend": "scipy"
+  }
+}
+
+
+

processforge-0.3.14/flowsheets/custom/simple_hyrdaulic_scheme.json

@@ -0,0 +1,202 @@
+{
+  "metadata": {
+    "name": "Hydraulic Chain Example",
+    "description": "A two-pump, one-valve, one-strainer steady-state hydraulic system.",
+    "version": "2.0"
+  },
+  "providers": {
+    "coolprop": {
+      "type": "coolprop"
+    }
+  },
+  "materials": {
+    "Benzene": {
+      "id": 1
+    },
+    "Toluene": {
+      "id": 2
+    },
+    "Steel": {
+      "id": 3
+    }
+  },
+  "material_mixes": {
+    "Benzene_Toluene_Mix": {
+      "friendly_material_mix_id": 1,
+      "percent_type": "ao",
+      "components": [
+        {"name": "Benzene", "fraction": 0.8},
+        {"name": "Toluene", "fraction": 0.2}
+      ]
+    }
+  },
+  "streams": {
+    "feed": {
+      "T": 298.15,
+      "P": 101325,
+      "flowrate": 38,
+      "material_mix": 1
+    }
+  },
+  "units": {
+    "pipe_1": {
+      "type": "Pipes",
+      "in": "feed",
+      "out": "after_pipe_1",
+      "delta_p": 1000.0,
+      "diameter": 0.040,
+      "material": 3
+    },
+    "valve_1": {
+      "type": "Valve",
+      "in": "after_pipe_1",
+      "out": "after_valve_1",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_2": {
+      "type": "Pipes",
+      "in": "after_valve_1",
+      "out": "after_pipe_2",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "pump_1": {
+      "type": "Pump",
+      "in": "after_pipe_2",
+      "out": "after_pump_1",
+      "delta_p": 600000.0,
+      "efficiency": 0.75,
+      "material": 3
+    },
+    "pipe_3": {
+      "type": "Pipes",
+      "in": "after_pump_1",
+      "out": "after_pipe_3",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "strainer_1": {
+      "type": "Strainer",
+      "in": "after_pipe_3",
+      "out": "after_strainer_1",
+      "delta_p": 5000.0,
+      "material": 3
+    },
+    "pipe_4": {
+      "type": "Pipes",
+      "in": "after_strainer_1",
+      "out": "after_pipe_4",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "pipe_1a": {
+      "type": "Pipes",
+      "in": "after_strainer_1",
+      "out": "after_pipe_1a",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_1a": {
+      "type": "Valve",
+      "in": "after_pipe_1a",
+      "out": "after_valve_1a",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_2a": {
+      "type": "Pipes",
+      "in": "after_valve_1a",
+      "out": "after_pipe_2a",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_2": {
+      "type": "Valve",
+      "in": "after_pipe_4",
+      "out": "after_valve_2",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_5": {
+      "type": "Pipes",
+      "in": "after_valve_2",
+      "out": "after_pipe_5",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "pump_2": {
+      "type": "Pump",
+      "in": "after_pipe_5",
+      "out": "after_pump_2",
+      "delta_p": 600000.0,
+      "efficiency": 0.75,
+      "material": 3
+    },
+    "pipe_6": {
+      "type": "Pipes",
+      "in": "after_pump_2",
+      "out": "after_pipe_6",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_3": {
+      "type": "Valve",
+      "in": "after_pipe_6",
+      "out": "after_valve_3",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_7": {
+      "type": "Pipes",
+      "in": "after_valve_3",
+      "out": "after_pipe_7",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_4": {
+      "type": "Valve",
+      "in": "after_pipe_7",
+      "out": "after_valve_4",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_8": {
+      "type": "Pipes",
+      "in": "after_valve_4",
+      "out": "after_pipe_8",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_5": {
+      "type": "Valve",
+      "in": ["after_pipe_8","after_pipe_2a"],
+      "out": "after_valve_5",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_9": {
+      "type": "Pipes",
+      "in": "after_valve_5",
+      "out": "after_pipe_9",      
+      "delta_p": 1000.0,
+      "diameter": 0.025,
+      "material": 3
+    }
+    
+  },
+  "simulation": {
+    "mode":"dynamic",
+    "t_final": 20,
+    "t_step": 1 
+  }
+}

{processforge-0.3.12 → processforge-0.3.14}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "processforge"
-version = "0.3.12"
+version = "0.3.14"
 description = "A Python-based process simulation framework for chemical engineering applications."
 readme = "README.md"
 license = "BSD-3-Clause"

{processforge-0.3.12 → processforge-0.3.14}/src/processforge/__init__.py

@@ -29,7 +29,7 @@ from .units.flash import Flash
 from .units.heater import Heater
 from .eo import EOFlowsheet, EOSolver
 
-__version__ = "0.3.2"
+__version__ = "0.3.14"
 
 __all__ = [
     "Flowsheet",

{processforge-0.3.12 → processforge-0.3.14}/src/processforge/providers/festim_provider.py

@@ -154,20 +154,54 @@ class FestimBuildHelpers:
     provider), which is what lets tests substitute a ``fake_festim``.
     """
 
+    # Optional FESTIM material properties read from ``extra``. FESTIM accepts
+    # ``None`` for all of these *except* ``solubility_law`` (its setter raises on
+    # ``None``), so that one needs a real default. Every field missing from
+    # ``extra`` is logged as a WARNING so users know a default was applied.
+    _MATERIAL_FIELD_DEFAULTS = {
+        "solubility_law": "none",
+        "K_S_0": None,
+        "E_K_S": None,
+        "thermal_conductivity": None,
+        "density": None,
+        "heat_capacity": None,
+    }
+
     @staticmethod
     def build_material(festim, mat_name: str, mat_def: "MaterialDef"):
         """Construct a ``festim.Material`` from a flowsheet ``MaterialDef``."""
         extra = mat_def.extra or {}
+        for field, default in FestimBuildHelpers._MATERIAL_FIELD_DEFAULTS.items():
+            if field not in extra:
+                logger.warning(
+                    f"FestimProvider: material '{mat_name}' is missing "
+                    f"'extra.{field}'; defaulting to {default!r}."
+                )
         return festim.Material(
             D_0=extra["D_0"],
             E_D=extra["E_D"],
-            K_S_0=extra.get("K_S_0"),
-            E_K_S=extra.get("E_K_S"),
-            thermal_conductivity=extra.get("thermal_conductivity"),
-            density=extra.get("density"),
-            heat_capacity=extra.get("heat_capacity"),
+            K_S_0=extra.get(
+                "K_S_0", FestimBuildHelpers._MATERIAL_FIELD_DEFAULTS["K_S_0"]
+            ),
+            E_K_S=extra.get(
+                "E_K_S", FestimBuildHelpers._MATERIAL_FIELD_DEFAULTS["E_K_S"]
+            ),
+            thermal_conductivity=extra.get(
+                "thermal_conductivity",
+                FestimBuildHelpers._MATERIAL_FIELD_DEFAULTS["thermal_conductivity"],
+            ),
+            density=extra.get(
+                "density", FestimBuildHelpers._MATERIAL_FIELD_DEFAULTS["density"]
+            ),
+            heat_capacity=extra.get(
+                "heat_capacity",
+                FestimBuildHelpers._MATERIAL_FIELD_DEFAULTS["heat_capacity"],
+            ),
             name=mat_name,
-            solubility_law=extra.get("solubility_law"),
+            solubility_law=extra.get(
+                "solubility_law",
+                FestimBuildHelpers._MATERIAL_FIELD_DEFAULTS["solubility_law"],
+            ),
         )
 
     @staticmethod
@@ -235,7 +269,7 @@ class FestimBuildHelpers:
 
     @staticmethod
     def build_reactions(festim, model: FestimModel, all_map: dict, volume_map: dict):
-        """Construct ``festim.ArrheniusReaction`` objects."""
+        """Construct ``festim.Reaction`` objects."""
         reactions = []
         for r in model.reactions:
             reactant = [all_map[name] for name in r.reactant]
@@ -251,7 +285,7 @@ class FestimBuildHelpers:
                     p_0=r.p_0,
                     E_p=r.E_p,
                 )
-            reactions.append(festim.ArrheniusReaction(**kwargs))
+            reactions.append(festim.Reaction(**kwargs))
         return reactions
 
     @staticmethod

{processforge-0.3.12 → processforge-0.3.14}/src/processforge/schemas/festim/festim_model.py

@@ -5,7 +5,7 @@ and the runtime ``FestimProvider``.  They mirror the constructor signatures of
 the FESTIM 2.0 API (see ``flowsheets/festim/FESTIM-main/src/festim``)::
 
     Mesh1D, Material, Species, ImplicitSpecies, VolumeSubdomain1D,
-    SurfaceSubdomain1D, ArrheniusReaction, ParticleSource,
+    SurfaceSubdomain1D, Reaction, ParticleSource,
     FixedConcentrationBC, ParticleFluxBC, SievertsBC, HenrysBC,
     Settings, Stepsize, SurfaceFlux, TotalVolume, Profile1DExport
 

{processforge-0.3.12 → processforge-0.3.14/src/processforge.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: processforge
-Version: 0.3.12
+Version: 0.3.14
 Summary: A Python-based process simulation framework for chemical engineering applications.
 Author-email: Processforge Team <team@processforge.dev>
 License-Expression: BSD-3-Clause

{processforge-0.3.12 → processforge-0.3.14}/src/processforge.egg-info/SOURCES.txt

@@ -4,6 +4,8 @@ README.md
 pyproject.toml
 flowsheets/closed-loop-chain.json
 flowsheets/hydraulic-chain.json
+flowsheets/custom/simple_hyrdaulic_scheme.json
+flowsheets/custom/crimson/MUWS_HB.json
 flowsheets/festim/hydrogen_transport_1d.json
 flowsheets/festim/tds_tungsten.json
 flowsheets/openmc/msre_eigenvalue.json

{processforge-0.3.12 → processforge-0.3.14}/tests/test_festim_provider.py

@@ -52,12 +52,15 @@ class _FakeMaterial:
         density=None,
         heat_capacity=None,
         name=None,
-        solubility_law=None,
+        solubility_law="none",
     ):
         self.D_0 = D_0
         self.E_D = E_D
         self.K_S_0 = K_S_0
         self.E_K_S = E_K_S
+        self.thermal_conductivity = thermal_conductivity
+        self.density = density
+        self.heat_capacity = heat_capacity
         self.name = name
         self.solubility_law = solubility_law
 
@@ -91,7 +94,7 @@ class _FakeSurfaceSubdomain1D:
         self.x = x
 
 
-class _FakeArrheniusReaction:
+class _FakeReaction:
     def __init__(self, reactant, k_0, E_k, volume, product=None, p_0=None, E_p=None):
         self.reactant = reactant
         self.k_0 = k_0
@@ -251,7 +254,7 @@ def make_fake_festim() -> types.ModuleType:
     mod.ImplicitSpecies = _FakeImplicitSpecies
     mod.VolumeSubdomain1D = _FakeVolumeSubdomain1D
     mod.SurfaceSubdomain1D = _FakeSurfaceSubdomain1D
-    mod.ArrheniusReaction = _FakeArrheniusReaction
+    mod.Reaction = _FakeReaction
     mod.ParticleSource = _FakeParticleSource
     mod.InitialConcentration = _FakeInitialConcentration
     mod.FixedConcentrationBC = _FakeFixedConcentrationBC
@@ -354,6 +357,69 @@ class TestFestimMaterialValidation:
         errors = FestimProvider.validate_material("steel", mat_def, unit_cfg)
         assert errors == []
 
+    def test_build_material_without_solubility_law(self, fake_festim):
+        from processforge.providers.festim_provider import FestimBuildHelpers
+
+        mat = FestimBuildHelpers.build_material(
+            fake_festim,
+            "tungsten",
+            MaterialDef(id=1, extra={"D_0": 4.1e-7, "E_D": 0.39}),
+        )
+        assert mat.D_0 == 4.1e-7
+        assert mat.E_D == 0.39
+        # No solubility_law key was passed, so FESTIM applies its own NONE default
+        # (the fake defaults to "none" and rejects None).
+        assert mat.solubility_law == "none"
+
+    def test_build_material_passes_solubility_law(self, fake_festim):
+        from processforge.providers.festim_provider import FestimBuildHelpers
+
+        mat = FestimBuildHelpers.build_material(
+            fake_festim,
+            "tungsten",
+            MaterialDef(
+                id=1, extra={"D_0": 4.1e-7, "E_D": 0.39, "solubility_law": "sievert"}
+            ),
+        )
+        assert mat.solubility_law == "sievert"
+
+    def test_build_material_warns_on_missing_optional_fields(self, fake_festim):
+        from loguru import logger
+
+        from processforge.providers.festim_provider import FestimBuildHelpers
+
+        captured = []
+        hid = logger.add(lambda m: captured.append(m), level="WARNING")
+        try:
+            mat = FestimBuildHelpers.build_material(
+                fake_festim,
+                "tungsten",
+                MaterialDef(id=1, extra={"D_0": 4.1e-7, "E_D": 0.39}),
+            )
+        finally:
+            logger.remove(hid)
+
+        # Defaults applied for every missing optional field.
+        assert mat.solubility_law == "none"
+        assert mat.K_S_0 is None
+        assert mat.E_K_S is None
+        assert mat.thermal_conductivity is None
+        assert mat.density is None
+        assert mat.heat_capacity is None
+
+        # A WARNING was emitted for each missing optional field.
+        for field in (
+            "solubility_law",
+            "K_S_0",
+            "E_K_S",
+            "thermal_conductivity",
+            "density",
+            "heat_capacity",
+        ):
+            assert any(
+                f"extra.{field}" in m and "defaulting to" in m for m in captured
+            ), f"expected warning for missing {field}; got: {captured}"
+
     def test_missing_D_0(self):
         from processforge.providers.festim_provider import FestimProvider
         from processforge.types import UnitConfig