numpy <2 dependcy. tweaked some docs, Changed name of Zajacy and Tsay.

PennyWieser · Feb 8, 2024 · 41b9e65 · 41b9e65
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Showing 13 changed files with 3,500 additions and 1,376 deletions.
diff --git a/Benchmarking/Masotta_Keppler_2015_SCAS/Masotta_Supplement_Excel_Kilauea.xlsx b/Benchmarking/Masotta_Keppler_2015_SCAS/Masotta_Supplement_Excel_Kilauea.xlsx
diff --git a/docs/Examples/Integrating_with_PetThermoTools/Bulk_comp_tbl.txt b/docs/Examples/Integrating_with_PetThermoTools/Bulk_comp_tbl.txt
diff --git a/docs/Examples/Integrating_with_PetThermoTools/Liquid_comp_tbl.txt b/docs/Examples/Integrating_with_PetThermoTools/Liquid_comp_tbl.txt
diff --git a/docs/Examples/Integrating_with_PetThermoTools/Phase_main_tbl.txt b/docs/Examples/Integrating_with_PetThermoTools/Phase_main_tbl.txt
diff --git a/docs/Examples/Integrating_with_PetThermoTools/Polybaric_FC_Model.ipynb b/docs/Examples/Integrating_with_PetThermoTools/Polybaric_FC_Model.ipynb
@@ -25,7 +25,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": 2,
    "id": "5a409b70-70c7-4cbf-b4fb-1d3e15911ae1",
    "metadata": {},
    "outputs": [],
@@ -63,7 +63,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": 4,
    "id": "971bbab3-362c-400d-a91f-d91872a56cc1",
    "metadata": {},
    "outputs": [],
@@ -73,7 +73,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 5,
    "id": "ef1cef0c-cdd2-43a3-b4b8-6e1febecdade",
    "metadata": {},
    "outputs": [],
@@ -87,7 +87,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": 6,
    "id": "175e078f-460b-4582-978e-0da465d5ca42",
    "metadata": {},
    "outputs": [
@@ -97,7 +97,7 @@
        "'1.0.4'"
       ]
      },
-     "execution_count": 8,
+     "execution_count": 6,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -108,7 +108,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 9,
+   "execution_count": 7,
    "id": "4128d3bb-fede-463c-a6d3-dd44e0a38dfe",
    "metadata": {},
    "outputs": [
@@ -118,7 +118,7 @@
        "'0.2.3'"
       ]
      },
-     "execution_count": 9,
+     "execution_count": 7,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -138,7 +138,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": 8,
    "id": "2542acaf-7427-4220-8ff1-da7ac6b0aeec",
    "metadata": {},
    "outputs": [
@@ -170,7 +170,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": 9,
    "id": "bff18a05-a758-4ac0-9264-43fbd44426b5",
    "metadata": {},
    "outputs": [
@@ -180,7 +180,7 @@
        "'0.2.3'"
       ]
      },
-     "execution_count": 11,
+     "execution_count": 9,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -191,14 +191,14 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 19,
+   "execution_count": 10,
    "id": "7a0cd3b4-f3ac-4390-8156-ac1bda14b0b1",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "0713d4206ad14fb08f57cbde03cacb9b",
+       "model_id": "31878c5c90a14d1d99d7f18b906d624e",
        "version_major": 2,
        "version_minor": 0
       },
@@ -220,7 +220,7 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      " Complete (time taken = 8.23 seconds)\n",
+      " Complete (time taken = 10.04 seconds)\n",
       "dict_keys(['P = 1000 bars'])\n"
      ]
     }
@@ -241,14 +241,14 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 21,
+   "execution_count": 11,
    "id": "9836a357-03ad-4771-abfb-312503d03743",
    "metadata": {},
    "outputs": [
     {
      "data": {
       "application/vnd.jupyter.widget-view+json": {
-       "model_id": "d31691f490e7404a82b18bd34287b469",
+       "model_id": "fd87550a51e64c9296eb0299e8f5fd27",
        "version_major": 2,
        "version_minor": 0
       },
@@ -270,7 +270,7 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      " Complete (time taken = 12.72 seconds)\n",
+      " Complete (time taken = 13.19 seconds)\n",
       "dict_keys(['P = 1000 bars', 'P = 3000 bars', 'P = 5000 bars', 'P = 7000 bars'])\n"
      ]
     }

diff --git a/docs/Examples/Integrating_with_PetThermoTools/Single_FC_Model.ipynb b/docs/Examples/Integrating_with_PetThermoTools/Single_FC_Model.ipynb
@@ -27,7 +27,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": 5,
    "id": "5a409b70-70c7-4cbf-b4fb-1d3e15911ae1",
    "metadata": {},
    "outputs": [],
@@ -46,7 +46,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": 6,
    "id": "158cf30d-8a3a-4d47-953f-d18d36c69484",
    "metadata": {},
    "outputs": [],
@@ -66,7 +66,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": 7,
    "id": "971bbab3-362c-400d-a91f-d91872a56cc1",
    "metadata": {},
    "outputs": [],
@@ -76,7 +76,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
+   "execution_count": 8,
    "id": "ef1cef0c-cdd2-43a3-b4b8-6e1febecdade",
    "metadata": {},
    "outputs": [],
@@ -90,7 +90,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": 9,
    "id": "dc58e7ba-fcd0-4c8b-ad2e-a6b44596113f",
    "metadata": {},
    "outputs": [],
@@ -100,7 +100,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": 10,
    "id": "175e078f-460b-4582-978e-0da465d5ca42",
    "metadata": {},
    "outputs": [
@@ -110,7 +110,7 @@
        "'1.0.4'"
       ]
      },
-     "execution_count": 6,
+     "execution_count": 10,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -121,7 +121,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 11,
    "id": "4128d3bb-fede-463c-a6d3-dd44e0a38dfe",
    "metadata": {},
    "outputs": [
@@ -131,7 +131,7 @@
        "'0.2.3'"
       ]
      },
-     "execution_count": 7,
+     "execution_count": 11,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -151,7 +151,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": 12,
    "id": "2542acaf-7427-4220-8ff1-da7ac6b0aeec",
    "metadata": {},
    "outputs": [
@@ -171,6 +171,66 @@
     "sample=df_out2.iloc[0]"
    ]
   },
+  {
+   "cell_type": "code",
+   "execution_count": 14,
+   "id": "c7c40538",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "pandas.core.series.Series"
+      ]
+     },
+     "execution_count": 14,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "type(sample)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 15,
+   "id": "d5d3aef6",
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "text/plain": [
+       "SiO2_Liq              50.822\n",
+       "TiO2_Liq               2.056\n",
+       "Al2O3_Liq             13.235\n",
+       "FeOt_Liq              13.339\n",
+       "MnO_Liq                0.252\n",
+       "MgO_Liq                6.631\n",
+       "CaO_Liq               11.356\n",
+       "Na2O_Liq                2.49\n",
+       "K2O_Liq                0.247\n",
+       "P2O5_Liq               0.189\n",
+       "H2O_Liq                  0.0\n",
+       "Fe3Fet_Liq               0.0\n",
+       "Ni_Liq_ppm               0.0\n",
+       "Cu_Liq_ppm               0.0\n",
+       "Sample_ID_Liq            H_1\n",
+       "Cr2O3_Liq               0.04\n",
+       "Total_Liq            100.754\n",
+       "Sample_ID_Liq_Liq          0\n",
+       "Name: 0, dtype: object"
+      ]
+     },
+     "execution_count": 15,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "sample"
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": 9,