add scalar value fix from paramest

idaes_examples/notebooks/docs/param_est/parameter_estimation_nrtl_using_state_block_test.ipynb

@@ -2,7 +2,7 @@
   "cells": [
     {
       "cell_type": "code",
-      "execution_count": 10,
+      "execution_count": null,
       "metadata": {
         "tags": [
           "header",
@@ -45,8 +45,7 @@
         "\n",
         "## Key links to documentation:\n",
         "* NRTL Model - https://idaes-pse.readthedocs.io/en/stable/reference_guides/model_libraries/generic/property_models/activity_coefficient.html\n",
-        "* parmest - https://pyomo.readthedocs.io/en/stable/contributed_packages/parmest/index.html\n",
-        ""
+        "* parmest - https://pyomo.readthedocs.io/en/stable/contributed_packages/parmest/index.html\n"
       ]
     },
     {
@@ -61,7 +60,7 @@
     },
     {
       "cell_type": "code",
-      "execution_count": 12,
+      "execution_count": null,
       "metadata": {
         "tags": [
           "solution"
@@ -85,7 +84,7 @@
     },
     {
       "cell_type": "code",
-      "execution_count": 13,
+      "execution_count": null,
       "metadata": {
         "tags": []
       },
@@ -106,7 +105,7 @@
     },
     {
       "cell_type": "code",
-      "execution_count": 14,
+      "execution_count": null,
       "metadata": {
         "tags": []
       },
@@ -137,7 +136,18 @@
     },
     {
       "cell_type": "code",
-      "execution_count": 16,
+      "execution_count": null,
+      "metadata": {},
+      "outputs": [],
+      "source": [
+        "def get_scalar(data, key):\n",
+        "    v = data[key]\n",
+        "    return float(v.iloc[0] if hasattr(v, \"iloc\") else v)"
+      ]
+    },
+    {
+      "cell_type": "code",
+      "execution_count": null,
       "metadata": {
         "tags": [
           "solution"
@@ -188,7 +198,7 @@
         "    m.fs.state_block.initialize(outlvl=idaeslog.INFO_LOW)\n",
         "\n",
         "    # Fix at actual temperature\n",
-        "    m.fs.state_block.temperature.fix(float(data[\"temperature\"]))\n",
+        "    m.fs.state_block.temperature.fix(get_scalar(data, \"temperature\"))\n",
         "\n",
         "    # Set bounds on variables to be estimated\n",
         "    m.fs.properties.tau[\"benzene\", \"toluene\"].setlb(-5)\n",
@@ -203,7 +213,7 @@
     },
     {
       "cell_type": "code",
-      "execution_count": 17,
+      "execution_count": null,
       "metadata": {
         "tags": [
           "testing"
@@ -273,7 +283,7 @@
     },
     {
       "cell_type": "code",
-      "execution_count": 19,
+      "execution_count": null,
       "metadata": {
         "tags": [
           "solution"
@@ -304,7 +314,7 @@
     },
     {
       "cell_type": "code",
-      "execution_count": 20,
+      "execution_count": null,
       "metadata": {
         "tags": []
       },
@@ -345,10 +355,10 @@
         "    # and vapor phase. For example, the squared error for the vapor phase is:\n",
         "    # (float(data[\"vap_benzene\"]) - m.fs.state_block.mole_frac_phase_comp[\"Vap\", \"benzene\"])**2\n",
         "    expr = (\n",
-        "        float(data[\"vap_benzene\"])\n",
+        "        get_scalar(data, \"vap_benzene\")\n",
         "        - m.fs.state_block.mole_frac_phase_comp[\"Vap\", \"benzene\"]\n",
         "    ) ** 2 + (\n",
-        "        float(data[\"liq_benzene\"])\n",
+        "        get_scalar(data, \"liq_benzene\")\n",
         "        - m.fs.state_block.mole_frac_phase_comp[\"Liq\", \"benzene\"]\n",
         "    ) ** 2\n",
         "    return expr * 1e4"
@@ -465,7 +475,7 @@
   "metadata": {
     "celltoolbar": "Tags",
     "kernelspec": {
-      "display_name": "Python 3 (ipykernel)",
+      "display_name": "idaes-examples-dev",
       "language": "python",
       "name": "python3"
     },
@@ -479,9 +489,9 @@
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
-      "version": "3.10.9"
+      "version": "3.12.13"
     }
   },
   "nbformat": 4,
   "nbformat_minor": 3
-}
+}