Apply and enforce Black formatting

.git-blame-ignore-revs

@@ -0,0 +1,2 @@
+# PR #134 (Apply and enforce Black formatting)
+6561c4fc1968ef38bdd6221f985f421fe024c21f

.github/workflows/core.yml

@@ -44,6 +44,23 @@ defaults:
     shell: bash -l {0}
 
 jobs:
+
+  code-formatting:
+    name: Check code formatting (Black)
+    # OS and/or Python version don't make a difference, so we choose ubuntu and 3.10 for performance
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - uses: actions/setup-python@v5
+        with:
+          python-version: ${{ env.DEFAULT_PYTHON_VERSION }}
+      - name: Install Black
+        run: |
+          pip install --progress-bar off black[jupyter]==24.3.0
+      - name: Run Black to verify that the committed code is formatted
+        run: |
+          black --check .
+
   spell-check:
     name: Check Spelling
     runs-on: ubuntu-latest
@@ -57,7 +74,7 @@ jobs:
     # description: Run pytest with dev dependencies
     name: pytest (py${{ matrix.python-version }}/${{ matrix.os }})
     runs-on: ${{ matrix.runner-image }}
-    needs: [spell-check]
+    needs: [code-formatting, spell-check]
     strategy:
       fail-fast: false
       matrix:

idaes_examples/archive/data_reconciliation/boiler_data_rec.py

@@ -56,17 +56,18 @@
 from idaes.core.util.model_statistics import degrees_of_freedom
 import idaes.core.util.scaling as iscale
 
+
 def deactivate_performance_constraints(m):
     for blk in m.fs.component_objects(pyo.Block, descend_into=False):
         try:
             Uval = value(blk.overall_heat_transfer_coefficient[0])
             Dps = value(blk.deltaP_shell[0])
             Dpt = value(blk.deltaP_tube[0])
-            blk.overall_heat_transfer_coefficient[0].setlb(Uval*0.25)
-            blk.overall_heat_transfer_coefficient[0].setub(Uval*2.5)
-            blk.deltaP_shell.setlb(Dps*10)
+            blk.overall_heat_transfer_coefficient[0].setlb(Uval * 0.25)
+            blk.overall_heat_transfer_coefficient[0].setub(Uval * 2.5)
+            blk.deltaP_shell.setlb(Dps * 10)
             blk.deltaP_shell.setub(0)
-            blk.deltaP_tube.setlb(Dpt*10)
+            blk.deltaP_tube.setlb(Dpt * 10)
             blk.deltaP_tube.setub(0)
 
             blk.overall_heat_transfer_coefficient_eqn.deactivate()
@@ -98,15 +99,15 @@ def deactivate_performance_constraints(m):
                 blk.gas_emissivity_eqn.deactivate()
         except AttributeError:
             pass
-    print('degrees of freedom = ' + str(degrees_of_freedom(m)))
+    print("degrees of freedom = " + str(degrees_of_freedom(m)))
 
 
 def boiler_flowsheet():
     """
     Make the flowsheet object, fix some variables, and solve the problem
     """
-    import idaes.models_extra.power_generation.flowsheets.\
-        supercritical_power_plant.boiler_subflowsheet_build as blr
+    import idaes.models_extra.power_generation.flowsheets.supercritical_power_plant.boiler_subflowsheet_build as blr
+
     # First, we import the boler model from boiler_subflowsheet_build
     m, solver = blr.main()
     # initialize boiler flowsheet
@@ -123,92 +124,121 @@ def boiler_flowsheet():
     # Therefore, in the new model, these variables will change with plant load,
     # More details regarding this methodology can be found in Zamarripa et al.,
     # FOCAPD 2 page paper included in this directory as FOCAPD_paper.pdf
-    m.fs.SR = pyo.Var(initialize=1.15, doc='stoichiometric ratio')
+    m.fs.SR = pyo.Var(initialize=1.15, doc="stoichiometric ratio")
     m.fs.SR.setlb(1.0)
     m.fs.SR.setub(1.25)
     m.fs.SR.fix(1.15)
-    m.fs.coal_flow = pyo.Var(initialize=54.01, doc='coal flowrate kg.s')
-    m.fs.FGET = pyo.Var(initialize=1300.00, doc='flue gas exit temperature K')
-    m.fs.FG_flow = pyo.Var(m.fs.prop_fluegas.component_list,
-                           initialize=2000,
-                           domain=pyo.Reals, doc='component molar flow rate')
-    init_fg = {"H2O": (8.69/100), "CO2": (14.49/100),
-               "N2": (0.6999), "O2": (2.47/100), "NO": 0.0006, "SO2": (0.002)}
-    m.fs.fg_frac = pyo.Var(m.fs.prop_fluegas.component_list,
-                           initialize=init_fg,
-                           doc='flue gas molar fraction')
+    m.fs.coal_flow = pyo.Var(initialize=54.01, doc="coal flowrate kg.s")
+    m.fs.FGET = pyo.Var(initialize=1300.00, doc="flue gas exit temperature K")
+    m.fs.FG_flow = pyo.Var(
+        m.fs.prop_fluegas.component_list,
+        initialize=2000,
+        domain=pyo.Reals,
+        doc="component molar flow rate",
+    )
+    init_fg = {
+        "H2O": (8.69 / 100),
+        "CO2": (14.49 / 100),
+        "N2": (0.6999),
+        "O2": (2.47 / 100),
+        "NO": 0.0006,
+        "SO2": (0.002),
+    }
+    m.fs.fg_frac = pyo.Var(
+        m.fs.prop_fluegas.component_list,
+        initialize=init_fg,
+        doc="flue gas molar fraction",
+    )
 
     # surrogate models valid for coal flowrate (30 to 70 kg/s) and SR (1-2.5)
     def fg_mol_frac_rule(b, i):
-        if i == 'CO2':
-            return m.fs.fg_frac[i] == 0.23235491508307534735955\
-                * m.fs.SR**-0.5
-        elif i == 'H2O':
-            return m.fs.fg_frac[i] == 0.45009703293861530459807E-001 \
-                * m.fs.SR
-        elif i == 'N2':
-            return m.fs.fg_frac[i] == 1 - (m.fs.fg_frac['CO2']
-                                           + m.fs.fg_frac['H2O']
-                                           + m.fs.fg_frac['NO']
-                                           + m.fs.fg_frac['O2']
-                                           + m.fs.fg_frac['SO2'])
-        elif i == 'NO':
-            return m.fs.fg_frac[i] == 0.38148020722713599076938E-005 \
-                * m.fs.coal_flow
-        elif i == 'O2':
-            return m.fs.fg_frac[i] == 0.60149266916011525155317E-003 \
-                * m.fs.coal_flow
-        elif i == 'SO2':
-            return m.fs.fg_frac[i] == 0.21991717807021016347323E-004 \
-                * m.fs.coal_flow
-    m.fs.fg_mol_cn = pyo.Constraint(m.fs.prop_fluegas.component_list,
-                                    rule=fg_mol_frac_rule)
+        if i == "CO2":
+            return m.fs.fg_frac[i] == 0.23235491508307534735955 * m.fs.SR**-0.5
+        elif i == "H2O":
+            return m.fs.fg_frac[i] == 0.45009703293861530459807e-001 * m.fs.SR
+        elif i == "N2":
+            return m.fs.fg_frac[i] == 1 - (
+                m.fs.fg_frac["CO2"]
+                + m.fs.fg_frac["H2O"]
+                + m.fs.fg_frac["NO"]
+                + m.fs.fg_frac["O2"]
+                + m.fs.fg_frac["SO2"]
+            )
+        elif i == "NO":
+            return m.fs.fg_frac[i] == 0.38148020722713599076938e-005 * m.fs.coal_flow
+        elif i == "O2":
+            return m.fs.fg_frac[i] == 0.60149266916011525155317e-003 * m.fs.coal_flow
+        elif i == "SO2":
+            return m.fs.fg_frac[i] == 0.21991717807021016347323e-004 * m.fs.coal_flow
+
+    m.fs.fg_mol_cn = pyo.Constraint(
+        m.fs.prop_fluegas.component_list, rule=fg_mol_frac_rule
+    )
 
     def fg_flow_rule(b, i):
-        mass_flow = 0.87757407893140026988732 * m.fs.coal_flow \
-            - 0.68240933480416252066014E-001 * m.fs.SR + 8.6386912890637752582\
-            * m.fs.coal_flow*m.fs.SR - 0.11737247790640543564002E-003 \
-            * (m.fs.coal_flow/m.fs.SR)**2  # ~ 28.3876e3 kg/s
+        mass_flow = (
+            0.87757407893140026988732 * m.fs.coal_flow
+            - 0.68240933480416252066014e-001 * m.fs.SR
+            + 8.6386912890637752582 * m.fs.coal_flow * m.fs.SR
+            - 0.11737247790640543564002e-003 * (m.fs.coal_flow / m.fs.SR) ** 2
+        )  # ~ 28.3876e3 kg/s
 
         # flow mol component in mol/s = kg/s/kg/mol
-        return m.fs.FSH.hot_side.properties_in[0].flow_mol_comp[i] == \
-            (mass_flow / sum(m.fs.fg_frac[c]*m.fs.prop_fluegas.mw_comp[c]
-                             for c in m.fs.prop_fluegas.component_list))\
+        return (
+            m.fs.FSH.hot_side.properties_in[0].flow_mol_comp[i]
+            == (
+                mass_flow
+                / sum(
+                    m.fs.fg_frac[c] * m.fs.prop_fluegas.mw_comp[c]
+                    for c in m.fs.prop_fluegas.component_list
+                )
+            )
             * m.fs.fg_frac[i]
-    m.fs.fg_flow_cn = pyo.Constraint(m.fs.prop_fluegas.component_list,
-                                     rule=fg_flow_rule)
+        )
+
+    m.fs.fg_flow_cn = pyo.Constraint(
+        m.fs.prop_fluegas.component_list, rule=fg_flow_rule
+    )
 
     def fg_temp_rule(b):
-        return m.fs.FSH.hot_side.properties_in[0].temperature == \
-            59836.381548557488713413 * m.fs.coal_flow**-0.5 \
-            + 791.74814907302368283126 * m.fs.coal_flow**0.5 \
-            + 0.60200443235342349090899 * m.fs.coal_flow**1.5 \
-            + 285.74858049626226375040 * m.fs.SR**3 - 29865.27413896147845662\
-            * (m.fs.coal_flow*m.fs.SR)**-.5 - 518.58090213915738786454 \
-            * (m.fs.coal_flow*m.fs.SR)**0.5 - 0.86351166781748790735040E-002 \
-            * (m.fs.coal_flow*m.fs.SR)**2 - 30141.308801694875000976 \
-            * (m.fs.SR/m.fs.coal_flow)**0.5 - 18.109911868067683826666 \
-            * m.fs.coal_flow/m.fs.SR + 1017.0807559525446777116 \
-            * m.fs.SR/m.fs.coal_flow
+        return (
+            m.fs.FSH.hot_side.properties_in[0].temperature
+            == 59836.381548557488713413 * m.fs.coal_flow**-0.5
+            + 791.74814907302368283126 * m.fs.coal_flow**0.5
+            + 0.60200443235342349090899 * m.fs.coal_flow**1.5
+            + 285.74858049626226375040 * m.fs.SR**3
+            - 29865.27413896147845662 * (m.fs.coal_flow * m.fs.SR) ** -0.5
+            - 518.58090213915738786454 * (m.fs.coal_flow * m.fs.SR) ** 0.5
+            - 0.86351166781748790735040e-002 * (m.fs.coal_flow * m.fs.SR) ** 2
+            - 30141.308801694875000976 * (m.fs.SR / m.fs.coal_flow) ** 0.5
+            - 18.109911868067683826666 * m.fs.coal_flow / m.fs.SR
+            + 1017.0807559525446777116 * m.fs.SR / m.fs.coal_flow
+        )
+
     m.fs.fg_temp_cn = pyo.Constraint(rule=fg_temp_rule)
 
     def heat_2_PLSH_rule(b):
-        return m.fs.PlSH.heat_duty[0] == - 42149808.046329699456692 \
-            * pyo.log(m.fs.coal_flow) + 13125913.817196270450950 \
-            * pyo.exp(m.fs.SR) - 82168941.403612509369850 \
-            * m.fs.coal_flow**-.5 - 20751.165176131220505340 \
-            * (m.fs.coal_flow*m.fs.SR)**1.5 + 35303843.583323523402214 \
-            * (m.fs.coal_flow/m.fs.SR)**0.5
+        return (
+            m.fs.PlSH.heat_duty[0]
+            == -42149808.046329699456692 * pyo.log(m.fs.coal_flow)
+            + 13125913.817196270450950 * pyo.exp(m.fs.SR)
+            - 82168941.403612509369850 * m.fs.coal_flow**-0.5
+            - 20751.165176131220505340 * (m.fs.coal_flow * m.fs.SR) ** 1.5
+            + 35303843.583323523402214 * (m.fs.coal_flow / m.fs.SR) ** 0.5
+        )
+
     m.fs.heat_2_PLSH_cn = pyo.Constraint(rule=heat_2_PLSH_rule)
 
     def heat_2_ww_rule(b):
-        heat_total = 15383517.068522246554494 * m.fs.coal_flow \
-            - 145195958.70188459753990 * m.fs.SR**0.5 + 91548063.4268338829278\
-            * (m.fs.coal_flow*m.fs.SR)**0.5 - 11732787.822234204038978 \
-            * m.fs.coal_flow*m.fs.SR - 19639.552666366322227987 \
-            * (m.fs.coal_flow/m.fs.SR)**2
-        return m.fs.Water_wall.heat_duty[0] == heat_total \
-            - m.fs.PlSH.heat_duty[0]
+        heat_total = (
+            15383517.068522246554494 * m.fs.coal_flow
+            - 145195958.70188459753990 * m.fs.SR**0.5
+            + 91548063.4268338829278 * (m.fs.coal_flow * m.fs.SR) ** 0.5
+            - 11732787.822234204038978 * m.fs.coal_flow * m.fs.SR
+            - 19639.552666366322227987 * (m.fs.coal_flow / m.fs.SR) ** 2
+        )
+        return m.fs.Water_wall.heat_duty[0] == heat_total - m.fs.PlSH.heat_duty[0]
+
     m.fs.heat_2_ww_cn = pyo.Constraint(rule=heat_2_ww_rule)
 
     # unfix variables to build flowsheet connections
@@ -217,14 +247,10 @@ def heat_2_ww_rule(b):
     m.fs.FSH.hot_side.properties_in[:].flow_mol_comp.unfix()
     m.fs.FSH.hot_side.properties_in[:].temperature.unfix()
     m.fs.coal_flow.fix(50.15)
-    print('degrees of freedom = ' + str(degrees_of_freedom(m)))
+    print("degrees of freedom = " + str(degrees_of_freedom(m)))
     # initialize surrogate models (better initial point before solve)
-    calculate_variable_from_constraint(
-            m.fs.PlSH.heat_duty[0],
-            m.fs.heat_2_PLSH_cn)
-    calculate_variable_from_constraint(
-        m.fs.Water_wall.heat_duty[0],
-        m.fs.heat_2_ww_cn)
+    calculate_variable_from_constraint(m.fs.PlSH.heat_duty[0], m.fs.heat_2_PLSH_cn)
+    calculate_variable_from_constraint(m.fs.Water_wall.heat_duty[0], m.fs.heat_2_ww_cn)
     # set scaling parameters
     iscale.calculate_scaling_factors(m)
     # final solve

idaes_examples/archive/data_reconciliation/econ_parmest_src.ipynb

@@ -636,6 +636,7 @@
     "    \"FG_2_AIRPH_P\",\n",
     "}\n",
     "\n",
+    "\n",
     "# Return expressions for the objective\n",
     "def sse(model, data):\n",
     "    return sum((model.err[i]) ** 2 for i in objective_tags)"