Added some comparisons for cornell densimeters and clarified some pic…

…kle production things.

docs/Cornell_Densimeter_fitting/CCMR/cornell_CCMR_calibration_densimeter_fitting.ipynb

@@ -12,7 +12,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": 1,
    "id": "f86e8a63",
    "metadata": {},
    "outputs": [
@@ -22,7 +22,7 @@
        "'0.0.77'"
       ]
      },
-     "execution_count": 5,
+     "execution_count": 1,
      "metadata": {},
      "output_type": "execute_result"
     }
@@ -46,7 +46,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": 2,
    "id": "2c0358b6-b8f5-4148-aaf9-ba86279eb651",
    "metadata": {},
    "outputs": [
@@ -288,7 +288,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": 3,
    "id": "e54a3b1b",
    "metadata": {},
    "outputs": [],
@@ -302,7 +302,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": 4,
    "id": "f87dc78c",
    "metadata": {},
    "outputs": [
@@ -341,22 +341,11 @@
     "CI=0.67\n",
     "df=T37C\n",
     "eq_division='ccmr'\n",
+    "save_suffix='_CCMR'\n",
     "\n",
-    "pf.plot_and_save_CO2cali_pickle(cali_data=df, Split_col=Split_col, CO2_dens_col=CO2_dens_col, split_error=split_error,CO2_dens_error=CO2_dens_error, density_range='Low',N_poly=1, CI=CI, std_error=True,save_fig=True,eq_division=eq_division)\n",
-    "pf.plot_and_save_CO2cali_pickle(cali_data=df, Split_col=Split_col, CO2_dens_col=CO2_dens_col, split_error=split_error,CO2_dens_error=CO2_dens_error, density_range='Medium',N_poly=3, CI=CI, std_error=True,save_fig=True,eq_division=eq_division)\n",
-    "pf.plot_and_save_CO2cali_pickle(cali_data=df, Split_col=Split_col, CO2_dens_col=CO2_dens_col, split_error=split_error,CO2_dens_error=CO2_dens_error, density_range='High',N_poly=2, CI=CI, std_error=True,save_fig=True,eq_division=eq_division)\n",
-    "\n",
-    "import os\n",
-    "if os.path.exists('Lowrho_polyfit_data_CCMR.pkl'):\n",
-    "    os.remove('Lowrho_polyfit_data_CCMR.pkl')\n",
-    "if os.path.exists('Mediumrho_polyfit_data_CCMR.pkl'):\n",
-    "    os.remove('Mediumrho_polyfit_data_CCMR.pkl')\n",
-    "if os.path.exists('Highrho_polyfit_data_CCMR.pkl'):\n",
-    "    os.remove('Highrho_polyfit_data_CCMR.pkl')\n",
-    "\n",
-    "os.rename('Lowrho_polyfit_data.pkl', 'Lowrho_polyfit_data_CCMR.pkl')\n",
-    "os.rename('Mediumrho_polyfit_data.pkl', 'Mediumrho_polyfit_data_CCMR.pkl')\n",
-    "os.rename('Highrho_polyfit_data.pkl', 'Highrho_polyfit_data_CCMR.pkl')"
+    "pf.plot_and_save_CO2cali_pickle(cali_data=df, Split_col=Split_col, CO2_dens_col=CO2_dens_col, split_error=split_error,CO2_dens_error=CO2_dens_error, density_range='Low',N_poly=1, CI=CI, std_error=True,save_fig=True,eq_division=eq_division,save_suffix=save_suffix)\n",
+    "pf.plot_and_save_CO2cali_pickle(cali_data=df, Split_col=Split_col, CO2_dens_col=CO2_dens_col, split_error=split_error,CO2_dens_error=CO2_dens_error, density_range='Medium',N_poly=3, CI=CI, std_error=True,save_fig=True,eq_division=eq_division,save_suffix=save_suffix)\n",
+    "pf.plot_and_save_CO2cali_pickle(cali_data=df, Split_col=Split_col, CO2_dens_col=CO2_dens_col, split_error=split_error,CO2_dens_error=CO2_dens_error, density_range='High',N_poly=2, CI=CI, std_error=True,save_fig=True,eq_division=eq_division,save_suffix=save_suffix)"
    ]
   },
   {

src/DiadFit/densimeter_fitting.py

@@ -58,7 +58,7 @@ def calculate_generic_std_err_values(*, pickle_str, new_x, CI=0.67):
 
     return df
 
-def plot_and_save_CO2cali_pickle(*, cali_data, CO2_dens_col='rho',Split_col='Split', split_error='split_err',CO2_dens_error='dens_err', density_range, N_poly=3, CI=0.67, std_error=True, save_fig=False,eq_division='paper'):
+def plot_and_save_CO2cali_pickle(*, cali_data, CO2_dens_col='rho',Split_col='Split', split_error='split_err',CO2_dens_error='dens_err', density_range, N_poly=3, CI=0.67, std_error=True, save_fig=False,eq_division='ccmr',save_suffix=''):
 # Define the x and y values
     try:
         if eq_division=='ccmr':
@@ -115,12 +115,12 @@ def plot_and_save_CO2cali_pickle(*, cali_data, CO2_dens_col='rho',Split_col='Spl
 
     # Save the model and the data to a pickle file
     data = {'model': Pf, 'x': x, 'y': y}
-    with open(prefix+'polyfit_data.pkl', 'wb') as f:
+    with open(prefix+'polyfit_data'+save_suffix+'.pkl', 'wb') as f:
         pickle.dump(data, f)
 
     if std_error is True:
         new_x_plot = np.linspace(np.min(x), np.max(x), 100)
-        new_calidf = calculate_generic_std_err_values(pickle_str=prefix+'polyfit_data.pkl',
+        new_calidf = calculate_generic_std_err_values(pickle_str=prefix+'polyfit_data'+save_suffix+'.pkl',
                                                     new_x=pd.Series(new_x_plot), CI=CI)
         # Calculate R-squared and p-value
         residuals = y - Pf(x)
@@ -162,4 +162,4 @@ def plot_and_save_CO2cali_pickle(*, cali_data, CO2_dens_col='rho',Split_col='Spl
 
 
     if save_fig is True:
-        fig.savefig(prefix+'cali_line.png')
+        fig.savefig(prefix+'cali_line'+save_suffix+'.png')