update vapor example

uncscode · May 25, 2024 · ae8f689 · ae8f689
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diff --git a/docs/documentation/next/next_vapor_pressure.ipynb b/docs/documentation/next/next_vapor_pressure.ipynb
@@ -179,7 +179,7 @@
       "\u001b[1;31m---------------------------------------------------------------------------\u001b[0m",
       "\u001b[1;31mValueError\u001b[0m                                Traceback (most recent call last)",
       "Cell \u001b[1;32mIn[3], line 6\u001b[0m\n\u001b[0;32m      1\u001b[0m \u001b[38;5;66;03m# failed build due to missing parameters\u001b[39;00m\n\u001b[0;32m      2\u001b[0m styrene_fail \u001b[38;5;241m=\u001b[39m (\n\u001b[0;32m      3\u001b[0m     \u001b[43mvapor_pressure_builders\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mAntoineBuilder\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\n\u001b[0;32m      4\u001b[0m \u001b[43m    \u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mset_a\u001b[49m\u001b[43m(\u001b[49m\u001b[43mstyrene_coefficients\u001b[49m\u001b[43m[\u001b[49m\u001b[38;5;124;43m'\u001b[39;49m\u001b[38;5;124;43ma\u001b[39;49m\u001b[38;5;124;43m'\u001b[39;49m\u001b[43m]\u001b[49m\u001b[43m)\u001b[49m\n\u001b[0;32m      5\u001b[0m \u001b[43m    \u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mset_b\u001b[49m\u001b[43m(\u001b[49m\u001b[43mstyrene_coefficients\u001b[49m\u001b[43m[\u001b[49m\u001b[38;5;124;43m'\u001b[39;49m\u001b[38;5;124;43mb\u001b[39;49m\u001b[38;5;124;43m'\u001b[39;49m\u001b[43m]\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m----> 6\u001b[0m \u001b[43m    \u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mbuild\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\n\u001b[0;32m      7\u001b[0m )\n",
-      "File \u001b[1;32mC:\\GitHub\\particula\\particula\\next\\gas\\vapor_pressure_builders.py:89\u001b[0m, in \u001b[0;36mAntoineBuilder.build\u001b[1;34m(self)\u001b[0m\n\u001b[0;32m     87\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m \u001b[38;5;129;01min\u001b[39;00m [\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39ma, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mb, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mc]:\n\u001b[0;32m     88\u001b[0m     missing \u001b[38;5;241m=\u001b[39m [p \u001b[38;5;28;01mfor\u001b[39;00m p \u001b[38;5;129;01min\u001b[39;00m [\u001b[38;5;124m'\u001b[39m\u001b[38;5;124ma\u001b[39m\u001b[38;5;124m'\u001b[39m, \u001b[38;5;124m'\u001b[39m\u001b[38;5;124mb\u001b[39m\u001b[38;5;124m'\u001b[39m, \u001b[38;5;124m'\u001b[39m\u001b[38;5;124mc\u001b[39m\u001b[38;5;124m'\u001b[39m] \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mgetattr\u001b[39m(\u001b[38;5;28mself\u001b[39m, p) \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m]\n\u001b[1;32m---> 89\u001b[0m     \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mValueError\u001b[39;00m(\u001b[38;5;124mf\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mMissing coefficients: \u001b[39m\u001b[38;5;132;01m{\u001b[39;00m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124m, \u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;241m.\u001b[39mjoin(missing)\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m\"\u001b[39m)\n\u001b[0;32m     90\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m AntoineVaporPressureStrategy(\n\u001b[0;32m     91\u001b[0m     \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39ma, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mb, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mc)\n",
+      "File \u001b[1;32mC:\\GitHub\\particula\\particula\\next\\gas\\vapor_pressure_builders.py:91\u001b[0m, in \u001b[0;36mAntoineBuilder.build\u001b[1;34m(self)\u001b[0m\n\u001b[0;32m     89\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m \u001b[38;5;129;01min\u001b[39;00m [\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39ma, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mb, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mc]:\n\u001b[0;32m     90\u001b[0m     missing \u001b[38;5;241m=\u001b[39m [p \u001b[38;5;28;01mfor\u001b[39;00m p \u001b[38;5;129;01min\u001b[39;00m [\u001b[38;5;124m'\u001b[39m\u001b[38;5;124ma\u001b[39m\u001b[38;5;124m'\u001b[39m, \u001b[38;5;124m'\u001b[39m\u001b[38;5;124mb\u001b[39m\u001b[38;5;124m'\u001b[39m, \u001b[38;5;124m'\u001b[39m\u001b[38;5;124mc\u001b[39m\u001b[38;5;124m'\u001b[39m] \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mgetattr\u001b[39m(\u001b[38;5;28mself\u001b[39m, p) \u001b[38;5;129;01mis\u001b[39;00m \u001b[38;5;28;01mNone\u001b[39;00m]\n\u001b[1;32m---> 91\u001b[0m     \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mValueError\u001b[39;00m(\u001b[38;5;124mf\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mMissing coefficients: \u001b[39m\u001b[38;5;132;01m{\u001b[39;00m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124m, \u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;241m.\u001b[39mjoin(missing)\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m\"\u001b[39m)\n\u001b[0;32m     92\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m AntoineVaporPressureStrategy(\n\u001b[0;32m     93\u001b[0m     \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39ma, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mb, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mc)\n",
       "\u001b[1;31mValueError\u001b[0m: Missing coefficients: c"
      ]
     }
@@ -473,7 +473,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
     {
@@ -553,7 +553,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
     {
@@ -585,7 +585,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 9,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
     {
@@ -615,7 +615,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
     {
@@ -727,46 +727,49 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": 5,
    "metadata": {},
    "outputs": [
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "Help on function vapor_pressure_factory in module particula.next.gas.vapor_pressure:\n",
+      "Help on function vapor_pressure_factory in module particula.next.gas.vapor_pressure_factories:\n",
       "\n",
-      "vapor_pressure_factory(strategy: str, **kwargs) -> particula.next.gas.vapor_pressure.VaporPressureStrategy\n",
-      "    Factory method to create a concrete VaporPressureStrategy object.\n",
+      "vapor_pressure_factory(strategy: str, parameters: Optional[dict] = None) -> particula.next.gas.vapor_pressure_strategies.VaporPressureStrategy\n",
+      "    Factory method to create a concrete VaporPressureStrategy object using\n",
+      "    builders.\n",
       "    \n",
       "    Args:\n",
       "    ----\n",
       "    - strategy (str): The strategy to use for vapor pressure calculations.\n",
-      "    options: \"constant\", \"antoine\", \"clausius_clapeyron\", \"water_buck\".\n",
-      "    - **kwargs: Additional keyword arguments required for the strategy.\n",
+      "      Options: \"constant\", \"antoine\", \"clausius_clapeyron\", \"water_buck\".\n",
+      "    - parameters (dict): A dictionary containing the necessary parameters for\n",
+      "        the strategy. If no parameters are needed, this can be left as None.\n",
       "    \n",
       "    Returns:\n",
       "    -------\n",
       "    - vapor_pressure_strategy (VaporPressureStrategy): A concrete\n",
-      "    implementation of the VaporPressureStrategy.\n",
+      "      implementation of the VaporPressureStrategy built using the appropriate\n",
+      "      builder.\n",
       "\n"
      ]
     }
    ],
    "source": [
-    "help(vapor_pressure_strategies.vapor_pressure_factory)"
+    "help(vapor_pressure_factory)"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 12,
+   "execution_count": 6,
    "metadata": {},
    "outputs": [
     {
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "Help on class ConstantVaporPressureStrategy in module particula.next.gas.vapor_pressure:\n",
+      "Help on class ConstantVaporPressureStrategy in module particula.next.gas.vapor_pressure_strategies:\n",
       "\n",
       "class ConstantVaporPressureStrategy(VaporPressureStrategy)\n",
       " |  ConstantVaporPressureStrategy(vapor_pressure: Union[float, numpy.ndarray[Any, numpy.dtype[numpy.float64]]])\n",
@@ -885,7 +888,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 13,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
     {
@@ -1019,7 +1022,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 14,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
     {
@@ -1166,7 +1169,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 15,
+   "execution_count": null,
    "metadata": {},
    "outputs": [
     {

diff --git a/particula/next/gas/species.py b/particula/next/gas/species.py
@@ -47,6 +47,7 @@ class GasSpecies:
     """
 
     def __init__(self):
+        # We could use an empty list instead of None, might be better for types
         self.name = None
         self.molar_mass = None
         self.pure_vapor_pressure_strategy = None

diff --git a/particula/next/gas/vapor_pressure_factories.py b/particula/next/gas/vapor_pressure_factories.py
@@ -17,7 +17,8 @@ def vapor_pressure_factory(
     ----
     - strategy (str): The strategy to use for vapor pressure calculations.
       Options: "constant", "antoine", "clausius_clapeyron", "water_buck".
-    - **kwargs: Additional keyword arguments required for the strategy.
+    - parameters (dict): A dictionary containing the necessary parameters for
+        the strategy. If no parameters are needed, this can be left as None.
 
     Returns:
     -------