DiadFit 1.0.0__py3-none-any.whl → 1.0.2__py3-none-any.whl

DiadFit/CO2_EOS.py

@@ -1028,7 +1028,7 @@ def ensure_series(a, b, c):
     else:
         c = pd.Series(c)
 
-    return a, b, c
+    return a.reset_index(drop=True), b.reset_index(drop=True), c.reset_index(drop=True)
 
 
 def ensure_series_4(a, b, c, d):
@@ -1061,7 +1061,7 @@ def ensure_series_4(a, b, c, d):
     else:
         d = pd.Series(d)
 
-    return a, b, c, d
+    return a.reset_index(drop=True), b.reset_index(drop=True), c.reset_index(drop=True), d.reset_index(drop=True)
 
 
 
@@ -2064,9 +2064,13 @@ def calculate_entrapment_P_XH2O(*, XH2O, CO2_dens_gcm3, T_K, T_K_ambient=37+273.
 
 
     """
+
     XH2O, rho_meas, T_K=ensure_series(a=XH2O, b=CO2_dens_gcm3, c=T_K)
     alpha=XH2O/(1-XH2O)
 
+    # All inputs 194 up to here
+
+
     # IF water is lost
     rho_orig_H_loss=rho_meas*(1+alpha*(18/44))
     # IF water isnt lost
@@ -2083,11 +2087,23 @@ def calculate_entrapment_P_XH2O(*, XH2O, CO2_dens_gcm3, T_K, T_K_ambient=37+273.
 
     # calculate density of H2O using EOS
     H2O_dens=calculate_rho_for_P_T_H2O(P_kbar=P_H2O,T_K=T_K_ambient)
+    H2O_dens=H2O_dens.reset_index(drop=True)
 
     # Calculate the bulk density by re-arranging the two volume equations
     nan_mask = H2O_dens==0
-    rho_orig_no_H_loss=(CO2_dens_gcm3*H2O_dens)/((1-XH2O_mass)*H2O_dens+XH2O_mass*CO2_dens_gcm3)
-    rho_orig_no_H_loss = np.where(nan_mask, CO2_dens_gcm3, rho_orig_no_H_loss)
+
+    # Debugging
+
+
+
+
+    rho_orig_no_H_loss=(rho_meas*H2O_dens)/((1-XH2O_mass)*H2O_dens+XH2O_mass*rho_meas)
+
+
+
+
+    rho_orig_no_H_loss = np.where(nan_mask, rho_meas, rho_orig_no_H_loss)
+
 
 
 

DiadFit/CO2_in_bubble_error.py

@@ -159,7 +159,7 @@ plot_figure=True, fig_i=0, neg_values=True):
 
         # This is the function doing the work to actually make the simulations for each variable.
         if error_vol_perc_bub is not None:
-            print('didnt get inside else loop')
+
 
             df_synthetic=propagate_CO2_in_bubble_ind(
     N_dup=N_dup,

DiadFit/H2O_fitting.py

@@ -10,7 +10,7 @@ from dataclasses import dataclass
 from typing import Tuple, Optional
 from DiadFit.importing_data_files import *
 from numpy import trapz
-from scipy.integrate import simps
+from scipy.integrate import simpson
 ##
 def extract_xstal_MI_name(*, files, char_xstal, pos_xstal, char_MI, pos_MI,
                          prefix=True, str_prefix=" ", file_ext='.txt'):
@@ -872,30 +872,30 @@ fit_sil='poly', dpi=200):
     ydat_sil=y_corr_sil
 
     xspace_sil=xdat_sil[1]-xdat_sil[0]
-    area_trap = trapz(y_corr_sil, dx=xspace_sil)
-    area_simps = simps(y_corr_sil, dx=xspace_sil)
+    area_trap = trapezoid(y_corr_sil, dx=xspace_sil)
+    area_simps = simpson(y_corr_sil, dx=xspace_sil)
     # Just the LW area
     xsil_LW=xdat_sil[(xdat_sil>LW[0]) & (xdat_sil<LW[1])]
     y_corr_sil_LW=y_corr_sil[(xdat_sil>LW[0]) & (xdat_sil<LW[1])]
     xspace_sil_LW=xsil_LW[1]-xsil_LW[0]
-    area_trap_LW=trapz(y_corr_sil_LW, dx=xspace_sil_LW)
-    area_simp_LW=simps(y_corr_sil_LW, dx=xspace_sil_LW)
+    area_trap_LW=trapezoid(y_corr_sil_LW, dx=xspace_sil_LW)
+    area_simp_LW=simpson(y_corr_sil_LW, dx=xspace_sil_LW)
 
 
     # Just the HW area
     xsil_HW=xdat_sil[(xdat_sil>HW[0]) & (xdat_sil<HW[1])]
     y_corr_sil_HW=y_corr_sil[(xdat_sil>HW[0]) & (xdat_sil<HW[1])]
     xspace_sil_HW=xsil_HW[1]-xsil_HW[0]
-    area_trap_HW=trapz(y_corr_sil_HW, dx=xspace_sil_HW)
-    area_simp_HW=simps(y_corr_sil_HW, dx=xspace_sil_HW)
+    area_trap_HW=trapezoid(y_corr_sil_HW, dx=xspace_sil_HW)
+    area_simp_HW=simpson(y_corr_sil_HW, dx=xspace_sil_HW)
 
     # MW
     if MW is not None:
         xsil_MW=xdat_sil[(xdat_sil>MW[0]) & (xdat_sil<MW[1])]
         y_corr_sil_MW=y_corr_sil[(xdat_sil>MW[0]) & (xdat_sil<MW[1])]
         xspace_sil_MW=xsil_MW[1]-xsil_MW[0]
-        area_trap_MW=trapz(y_corr_sil_MW, dx=xspace_sil_MW)
-        area_simp_MW=simps(y_corr_sil_MW, dx=xspace_sil_MW)
+        area_trap_MW=trapezoid(y_corr_sil_MW, dx=xspace_sil_MW)
+        area_simp_MW=simpson(y_corr_sil_MW, dx=xspace_sil_MW)
 
 
      # Plotting what its doing
@@ -1155,8 +1155,8 @@ def fit_area_for_water_region(*, path, filename, Spectra=None, config1: water_bc
 
 
     xspace_water=xdat_water[1]-xdat_water[0]
-    area_trap = trapz(y_corr_water, dx=xspace_water)
-    area_simps = simps(y_corr_water, dx=xspace_water)
+    area_trap = trapezoid(y_corr_water, dx=xspace_water)
+    area_simps = simpson(y_corr_water, dx=xspace_water)
 
 
      # Plotting what its doing

DiadFit/_version.py

@@ -5,4 +5,4 @@
 # 1) we don't load dependencies by storing it in __init__.py
 # 2) we can import it in setup.py for the same reason
 # 3) we can import it into your module
-__version__ = '1.0.0'
+__version__ = '1.0.2'

DiadFit/densimeters.py

@@ -944,20 +944,29 @@ def merge_fit_files(path):
 
     if os.path.exists(os.path.join(path, 'Weak_Diads.xlsx')):
         grp1 = pd.read_excel(os.path.join(path, 'Weak_Diads.xlsx'))
+        grp1['Standard']='No'
     else:
         grp1 = None
 
     if os.path.exists(os.path.join(path, 'Medium_Diads.xlsx')):
         grp2 = pd.read_excel(os.path.join(path, 'Medium_Diads.xlsx'))
+        grp2['Standard']='No'
     else:
         grp2 = None
 
     if os.path.exists(os.path.join(path, 'Strong_Diads.xlsx')):
         grp3 = pd.read_excel(os.path.join(path, 'Strong_Diads.xlsx'))
+        grp3['Standard']='No'
     else:
         grp3 = None
+        
+    if os.path.exists(os.path.join(path, 'Std_Diads.xlsx')):
+        grp4 = pd.read_excel(os.path.join(path, 'Std_Diads.xlsx'))
+        grp4['Standard']='Yes'
+    else:
+        grp4 = None
 
-    df2 = pd.concat([grp1, grp2, grp3], axis=0).reset_index(drop=True)
+    df2 = pd.concat([grp1, grp2, grp3, grp4], axis=0).reset_index(drop=True)
 
     if discard is not None:
         discard_cols=discard[discard.columns.intersection(df2.columns)]

DiadFit/diads.py

@@ -17,8 +17,8 @@ from dataclasses import dataclass
 import matplotlib.patches as patches
 import warnings as w
 from tqdm import tqdm
-from numpy import trapz
-from scipy.integrate import simps
+from scipy.integrate import trapezoid
+from scipy.integrate import simpson
 from scipy.interpolate import interp1d
 
 # Allowed models
@@ -725,7 +725,7 @@ def plot_peak_params(fit_params,
 def filter_splitting_prominence(*, fit_params, data_y_all,
                                 x_cord,
                                 splitting_limits=[100, 107],
-                                lower_diad1_prom=10, exclude_str):
+                                lower_diad1_prom=10, exclude_str=None, str_filt=None):
     """ Filters Spectra based on approximate splitting, draws a plot showing spectra to discard and those to keep
 
     Parameters
@@ -746,6 +746,12 @@ def filter_splitting_prominence(*, fit_params, data_y_all,
         Only keeps spectra that meet the splitting parameter, and have an absolute
         diad1 prominence greater than this value (helps filter out other weird spectra)
 
+    exclude_str: str
+        Excludes files with this string.
+
+    str_filt: str
+        Filters just based on string in filename
+
     Returns
     --------------
     fit_params_filt: pd.DataFrame
@@ -759,21 +765,30 @@ def filter_splitting_prominence(*, fit_params, data_y_all,
 
 
     """
+    if str_filt is not None:
+        filt=fit_params['filename'].str.contains(str_filt)
 
-    reas_split=(fit_params['approx_split'].between(splitting_limits[0], splitting_limits[1]))
-    reas_heigh=fit_params['Diad1_abs_prom']>lower_diad1_prom
-    if exclude_str is not None:
-        name_in_file=~fit_params['filename'].str.contains(exclude_str)
     else:
-        name_in_file=reas_heigh
 
-    fit_params_filt=fit_params.loc[(reas_split&reas_heigh&name_in_file)].reset_index(drop=True)
-    fit_params_disc=fit_params.loc[~(reas_split&reas_heigh&name_in_file)].reset_index(drop=True)
+        reas_split=(fit_params['approx_split'].between(splitting_limits[0], splitting_limits[1]))
+        reas_heigh=fit_params['Diad1_abs_prom']>lower_diad1_prom
+
+        if exclude_str is not None:
+            name_in_file=~fit_params['filename'].str.contains(exclude_str)
+        else:
+            name_in_file=reas_heigh
+
+        filt=reas_split&reas_heigh&name_in_file
+
+    fit_params_filt=fit_params.loc[filt].reset_index(drop=True)
+    fit_params_disc=fit_params.loc[~(filt)].reset_index(drop=True)
 
     print('Keeping N='+str(len(fit_params_filt)))
     print('Discarding N='+str(len(fit_params_disc)))
 
-    filt=reas_split&reas_heigh&name_in_file
+
+
+    # Then apply to get data
     data_y_filt=data_y_all[:, (filt)]
     data_y_disc=data_y_all[:, ~(filt)]
 
@@ -804,17 +819,111 @@ def filter_splitting_prominence(*, fit_params, data_y_all,
             Diff=np.nanmax(data_y_filt[:, i])-np.nanmin(data_y_filt[:, i])
             av_prom_Keep=fit_params_filt['Diad1_abs_prom'].iloc[i]
             prom_filt=prom_filt+av_prom_Keep
+            file=fit_params_filt['filename'].iloc[i]
+            ax2.plot(x_cord+i*5, (data_y_filt[:, i]-np.nanmin(data_y_filt[:, i]))/Diff+i/3, '-b', lw=0.5)
+            yplot=np.quantile((data_y_filt[:, i]-np.nanmin(data_y_filt[:, i]))/Diff+i/3, 0.65)
+            ax2.annotate(str(file), xy=(1450+i*5, yplot),
+                    xycoords="data", fontsize=8, bbox=dict(facecolor='white', edgecolor='none', pad=2))
+
+
+        ax2.set_xlim([1250, 1450+i*5])
+        ax2.set_xticks([])
+        ax2.set_yticks([])
+
+    return fit_params_filt.reset_index(drop=True), data_y_filt, fit_params_disc.reset_index(drop=True), data_y_disc
+
+def filter_by_string(*, fit_params, data_y_all,
+                                x_cord,
+                                 str_filt=None):
+    """ Filters Spectra based on approximate splitting, draws a plot showing spectra to discard and those to keep
+
+    Parameters
+    --------------
+    fit_params: pd.dataframe
+        dataframe of fit parameters from loop_approx_diad_fits
+
+    data_y_all: np.array
+        y coordinates of each spectra from loop_approx_diad_fits, used for plotting visualizatoins
+
+    x_cord: np.array
+        x coordinates of 1 spectra. Assumes all x coordinates the same length
+
+
+
+    str_filt: str
+        Filters just based on string in filename. Keeps files with string in, discards those without.
+
+    Returns
+    --------------
+    fit_params_filt: pd.DataFrame
+        dataframe of fit parameters for spectra to keep
+    data_y_filt: np.array
+        y coordinates of spectra to keep
+    fit_params_disc: pd.DataFrame
+        dataframe of fit parameters for spectra to discard
+    data_y_disc: np.array
+        y coordinates of spectra to discard
+
+
+    """
+
+    filt=fit_params['filename'].str.contains(str_filt)
+
+
+    fit_params_filt=fit_params.loc[filt].reset_index(drop=True)
+    fit_params_disc=fit_params.loc[~(filt)].reset_index(drop=True)
+
+    print('Keeping N='+str(len(fit_params_filt)))
+    print('Discarding N='+str(len(fit_params_disc)))
+
+
+
+    # Then apply to get data
+    data_y_filt=data_y_all[:, (filt)]
+    data_y_disc=data_y_all[:, ~(filt)]
+
+    intc=800
+    prom_filt=0
+    prom_disc=0
+    fig, (ax1, ax2) = plt.subplots(1, 2, figsize=(12,5))
+    ax1.set_title('Samples')
+    ax2.set_title('Standards')
+    if sum(~filt)>0:
+        for i in range(0, np.shape(data_y_disc)[1]):
+            av_prom_disc=np.abs(np.nanmedian(fit_params_disc['Diad1_abs_prom'])/intc)
+            Diff=np.nanmax(data_y_disc[:, i])-np.nanmin(data_y_disc[:, i])
+            av_prom_Keep=fit_params_disc['Diad1_abs_prom'].iloc[i]
+            prom_disc=prom_disc+av_prom_disc
+            ax1.plot(x_cord+i*5, (data_y_disc[:, i]-np.nanmin(data_y_disc[:, i]))/Diff+i/3, '-r', lw=0.5)
+            yplot=np.quantile((data_y_disc[:, i]-np.nanmin(data_y_disc[:, i]))/Diff+i/3, 0.65)
+            file=fit_params_disc['filename'].iloc[i]
+            file = file.replace("_CRR_DiadFit", "")
+            ax1.annotate(str(file), xy=(1450+i*5, yplot),
+                    xycoords="data", fontsize=8, bbox=dict(facecolor='white', edgecolor='none', pad=2))
+
+        ax1.set_xlim([1250, 1500+i*5])
+        ax1.set_xticks([])
+        ax1.set_yticks([])
+    if sum(filt)>0:
+        for i in range(0, np.shape(data_y_filt)[1]):
+            Diff=np.nanmax(data_y_filt[:, i])-np.nanmin(data_y_filt[:, i])
+            av_prom_Keep=fit_params_filt['Diad1_abs_prom'].iloc[i]
+            prom_filt=prom_filt+av_prom_Keep
+            file=fit_params_filt['filename'].iloc[i]
             ax2.plot(x_cord+i*5, (data_y_filt[:, i]-np.nanmin(data_y_filt[:, i]))/Diff+i/3, '-b', lw=0.5)
+            yplot=np.quantile((data_y_filt[:, i]-np.nanmin(data_y_filt[:, i]))/Diff+i/3, 0.65)
+            ax2.annotate(str(file), xy=(1450+i*5, yplot),
+                    xycoords="data", fontsize=8, bbox=dict(facecolor='white', edgecolor='none', pad=2))
 
 
         ax2.set_xlim([1250, 1450+i*5])
         ax2.set_xticks([])
         ax2.set_yticks([])
 
-    return fit_params_filt, data_y_filt, fit_params_disc, data_y_disc
+    return fit_params_filt.reset_index(drop=True), data_y_filt, fit_params_disc.reset_index(drop=True), data_y_disc
 
 
-def identify_diad_group(*, fit_params, data_y,  x_cord, filter_bool,y_fig_scale=0.1, grp_filter='Weak'):
+def identify_diad_group(*, fit_params, data_y,  x_cord, filter_bool,y_fig_scale=0.1, grp_filter='Weak', str_filt=None):
 
     """Sorts diads into two groups. Those meeting the 'filter_bool' criteria, and those not
      meeting this criteria. Ones meeting the criteria are shown on the left hand plot,
@@ -853,6 +962,9 @@ def identify_diad_group(*, fit_params, data_y,  x_cord, filter_bool,y_fig_scale=
 
 
     """
+    if str_filt is not None:
+        filt_name=~fit_params['filename'].str.contains(str_filt)
+        filt_bool=filt_name&filt_bool
 
     if np.shape(data_y)[1]==0:
         Group1_df=pd.DataFrame().reindex_like(fit_params)
@@ -3835,8 +3947,8 @@ path=None, filename=None, filetype=None,
 
 
                 xspace_sil=x_new[1]-x_new[0]
-                area_trap = trapz(Baseline_ysub_sil, dx=xspace_sil)
-                area_simps = simps(Baseline_ysub_sil, dx=xspace_sil)
+                area_trap = trapezoid(Baseline_ysub_sil, dx=xspace_sil)
+                area_simps = simpson(Baseline_ysub_sil, dx=xspace_sil)
 
 
 

DiadFit/error_propagation.py

@@ -331,6 +331,8 @@ error_CO2_dens=0, error_type_CO2_dens='Abs', error_dist_CO2_dens='normal',
 
 # Check for panda Series
 
+
+
 def convert_inputs_to_series(T_K, error_T_K, CO2_dens_gcm3, error_CO2_dens_gcm3, XH2O, error_XH2O):
     # Create a list of all inputs
     inputs = [T_K, error_T_K, CO2_dens_gcm3, error_CO2_dens_gcm3, XH2O, error_XH2O]
@@ -341,11 +343,17 @@ def convert_inputs_to_series(T_K, error_T_K, CO2_dens_gcm3, error_CO2_dens_gcm3,
     # Unpack the converted inputs back to their respective variables
     T_K, error_T_K, CO2_dens_gcm3, error_CO2_dens_gcm3, XH2O, error_XH2O = converted_inputs
     
-    # Continue with the function using the possibly converted inputs...
-    # For demonstration, just return the converted inputs
-    return T_K, error_T_K, CO2_dens_gcm3, error_CO2_dens_gcm3, XH2O, error_XH2O
-    
+    # Reset index only if the input is a pandas Series
+    T_K = T_K.reset_index(drop=True) if isinstance(T_K, pd.Series) else T_K
+    error_T_K = error_T_K.reset_index(drop=True) if isinstance(error_T_K, pd.Series) else error_T_K
+    CO2_dens_gcm3 = CO2_dens_gcm3.reset_index(drop=True) if isinstance(CO2_dens_gcm3, pd.Series) else CO2_dens_gcm3
+    error_CO2_dens_gcm3 = error_CO2_dens_gcm3.reset_index(drop=True) if isinstance(error_CO2_dens_gcm3, pd.Series) else error_CO2_dens_gcm3
+    XH2O = XH2O.reset_index(drop=True) if isinstance(XH2O, pd.Series) else XH2O
+    error_XH2O = error_XH2O.reset_index(drop=True) if isinstance(error_XH2O, pd.Series) else error_XH2O
     
+    # Return the possibly converted inputs
+    return T_K, error_T_K, CO2_dens_gcm3, error_CO2_dens_gcm3, XH2O, error_XH2O
+
 
 
 def propagate_FI_uncertainty(sample_ID, CO2_dens_gcm3, T_K, multiprocess='default',  cores='default', 

{DiadFit-1.0.0.dist-info → DiadFit-1.0.2.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: DiadFit
-Version: 1.0.0
+Version: 1.0.2
 Summary: DiadFit
 Home-page: https://github.com/PennyWieser/DiadFit
 Author: Penny Wieser
@@ -9,13 +9,13 @@ License: UNKNOWN
 Platform: UNKNOWN
 Classifier: Programming Language :: Python :: 3
 Classifier: Operating System :: OS Independent
-Requires-Python: >=3.7
+Requires-Python: >=3.8
 Description-Content-Type: text/markdown
 Requires-Dist: pandas
 Requires-Dist: numpy <2
 Requires-Dist: matplotlib
 Requires-Dist: scikit-learn
-Requires-Dist: scipy
+Requires-Dist: scipy >1.6
 Requires-Dist: lmfit >=1.1.0
 Requires-Dist: tqdm
 Requires-Dist: python-docx

{DiadFit-1.0.0.dist-info → DiadFit-1.0.2.dist-info}/RECORD

@@ -1,6 +1,6 @@
-DiadFit/CO2_EOS.py,sha256=ti9HEZynM-BoiPGYG1C7vUpO-RNZY-NqmjUl2FFnO3E,73918
-DiadFit/CO2_in_bubble_error.py,sha256=ehr1JZCjwVLD24A3tl2RW-UsdTTJV39zHs49JD9ZpLg,21271
-DiadFit/H2O_fitting.py,sha256=E3xD9VkYNDdmsQ3wZNkMOHhPkNO0F-al_Vb9Q8ZR6oI,43888
+DiadFit/CO2_EOS.py,sha256=H2_th8DP5m9oJ-IZCg9XncuOogQy_AE8ihiT-4zlIOo,74170
+DiadFit/CO2_in_bubble_error.py,sha256=Nq5YEf2oa2rWRreEPXl2lEA86NXOGvll0Gca2AOu_RE,21224
+DiadFit/H2O_fitting.py,sha256=ZOLWL8j7HQYKlx1-ISm1twvH34jhrGFwukU8ElRj0Dw,43920
 DiadFit/Highrho_polyfit_data.pkl,sha256=7t6uXxI-HdfsvreAWORzMa9dXxUsnXqKBSo1O3EgiBw,1213
 DiadFit/Highrho_polyfit_dataUCB_1117_1400.pkl,sha256=oBOarETLyfq2DJhYGQrJofgHjvRMLamE6G2b7EE5m-Y,1213
 DiadFit/Highrho_polyfit_dataUCB_1117_1447.pkl,sha256=OG1qip_xU1hl3xp3HC8e9_2497-KYEV3Xz3mx0gdJ4Y,1213
@@ -29,21 +29,21 @@ DiadFit/Mediumrho_polyfit_data_CCMR.pkl,sha256=U6ODSdurqS0-lynm1MG1zktg8NuhYRbrY
 DiadFit/Mediumrho_polyfit_data_CMASS.pkl,sha256=SBy1pIdqCAF9UtB9FLNTuD0-tFyD7swwJppdE2U_FsY,1557
 DiadFit/Psensor.py,sha256=C2xSlgxhUJIKIBDvUp02QaYRs5QsIqjGGRMP25ZLRZ0,10435
 DiadFit/__init__.py,sha256=F-HjhCYKL_U8PfiH8tZ9DUCkxPvo6lAslJS4fyvxkbY,1148
-DiadFit/_version.py,sha256=v3boCh9grt_Ozt8KUuSV2NTg8ZSYLiJfte4wgxefVbk,295
+DiadFit/_version.py,sha256=X0PLLhZnpIdwlS5nJADl6Y4cVKJ40aHv2hvu4kkgAGQ,295
 DiadFit/argon_lines.py,sha256=vtzsuDdEgrAmEF9xwpejpFqKV9hKPS1JUYhIl4AfXZ0,7675
 DiadFit/cosmicray_filter.py,sha256=a45x2_nmpi9Qcjc_L39UA9JOd1NMorIjtTRGnCdG3MU,23634
 DiadFit/densimeter_fitting.py,sha256=zEyCwq1zDV3z6-MIu-eZqgp3YQPUGqwZiKczN3-22LQ,8247
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 DiadFit/density_depth_crustal_profiles.py,sha256=b072IJaoGDydKpqWWKoJHeXKIkcIXxKf82whpvLAPpw,17761
-DiadFit/diads.py,sha256=zGzK_TM5iFL7_9BFnQR1Rpncr3HNmq8RBhBbLoKq_7I,176663
-DiadFit/error_propagation.py,sha256=STJUqjdhwo0geXi0iZ9XN0RD3t7qYqbNGHzelfLOANQ,50038
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 DiadFit/importing_data_files.py,sha256=0Cx_CKJZR8efssMzQit0aPRh_rsjQFGXgLtI285FW_k,41961
 DiadFit/lookup_table.csv,sha256=Hs1tmSQ9ArTUDv3ymEXbvnLlPBxYUP0P51dz7xAKk-Q,2946857
 DiadFit/lookup_table_noneg.csv,sha256=HelvewKbBy4cqT2GAqsMo-1ps1lBYqZ-8hCJZWPGfhI,3330249
 DiadFit/molar_gas_proportions.py,sha256=_oEZn_vndHGDaXAjZ6UU8ycujBx_qB2KGCGqZSzotQU,3389
 DiadFit/ne_lines.py,sha256=6z9oo4lgh0iYv1mkSscgzCt_Pe4gQTnquG99pR6cJS8,63811
 DiadFit/relaxifi.py,sha256=hHzRsJPQIVohYi3liy9IQJpaomgsa2zbLQmhqkpdfrI,31549
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-DiadFit-1.0.0.dist-info/top_level.txt,sha256=yZC6OFLVznaFA5kcPlFPkvhKotcVd-YO4bKxZZw3LQE,8
-DiadFit-1.0.0.dist-info/RECORD,,
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