AeroViz 0.1.3b0__tar.gz → 0.1.5__tar.gz

{aeroviz-0.1.3b0 → aeroviz-0.1.5}/AeroViz/__init__.py

@@ -1,12 +1,14 @@
 # This file is used to import all the modules in the AeroViz package
 from AeroViz import plot
-from AeroViz.dataProcess import Optical, SizeDistr, Chemistry, VOC
+from AeroViz.dataProcess import DataProcess
 from AeroViz.rawDataReader import RawDataReader
 from AeroViz.tools import DataBase, DataReader, DataClassifier
 
 __all__ = [
     'plot',
     'RawDataReader',
-    'Optical', 'SizeDistr', 'Chemistry', 'VOC',
-    'DataBase', 'DataReader', 'DataClassifier'
+    'DataProcess',
+    'DataBase',
+    'DataReader',
+    'DataClassifier'
 ]

{aeroviz-0.1.3b0/AeroViz/config → aeroviz-0.1.5/AeroViz/data}/DEFAULT_DATA.csv

@@ -1,4 +1,4 @@
-Time,SO2,NO,NOx,NO2,CO,O3,THC,CH4,NMHC,PM10,PM25,WS,WD,AT,RH,RT,Benzene,Toluene,EthylBenzene,m/p-Xylene,o-Xylene,Si,Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn,Ga,As,Se,Br,Sr,Ag,Cd,Sn,Sb,Ba,Hg,Tl,Pb,NH3,HF,HCl,HNO2,HNO3,G-SO2,Na+,NH4+,K+,Mg2+,Ca2+,F-,Cl-,NO2-,NO3-,PO43-,SO42-,Extinction,Scattering,Absorption,MEE,MSE,MAE,SSA,SAE450700,AAE370880,Vis_Naked,Vis_LPV,BC,VC,PBLH,T_OC,T_EC,O_OC,O_EC,POC,SOC,NOR,SOR,PM1,ALWC,pH,NH4_status,AS,AN,OM,Soil,SS,EC,SIA,total_mass,unknown_mass,AS_ratio,AN_ratio,OM_ratio,Soil_ratio,SS_ratio,EC_ratio,SIA_ratio,unknown_mass_ratio,AS_volume,AN_volume,OM_volume,Soil_volume,SS_volume,EC_volume,total_volume,AS_volume_ratio,AN_volume_ratio,OM_volume_ratio,Soil_volume_ratio,SS_volume_ratio,EC_volume_ratio,density,ALWC_volume_ratio,gRH,k_amb,k_dry,kappa_chem,kappa_vam,n_amb,n_dry,AS_ext_dry,AN_ext_dry,OM_ext_dry,Soil_ext_dry,SS_ext_dry,EC_ext_dry,total_ext_dry,AS_ext,AN_ext,OM_ext,Soil_ext,SS_ext,EC_ext,total_ext,ALWC_AS_ext,ALWC_AN_ext,ALWC_SS_ext,ALWC_ext,fRH_IMPR,ScatteringByGas,AbsorptionByGas,ExtinctionByGas,Number,GMDn,GSDn,mode_n,ultra_n,accum_n,coarse_n,Surface,GMDs,GSDs,mode_s,ultra_s,accum_s,coarse_s,Volume,GMDv,GSDv,mode_v,ultra_v,accum_v,coarse_v,Bext_internal,GMDext_in,GSDext_in,mode_ext_in,ultra_ext_in,accum_ext_in,coarse_ext_in,Bsca_internal,Babs_internal,Bext_external,GMDext_ex,GSDext_ex,mode_ext_ex,ultra_ext_ex,accum_ext_ex,coarse_ext_ex,Bsca_external,Babs_external,Bext_Fixed_PNSD,Bext_Fixed_RI,PG,MAC,Ox,N2O5_tracer,Vis_cal,OCEC_ratio,PM1/PM25,MEE_PNSD
+Time,SO2,NO,NOx,NO2,CO,O3,THC,CH4,NMHC,PM10,PM2.5,WS,WD,AT,RH,RT,Benzene,Toluene,EthylBenzene,m/p-Xylene,o-Xylene,Si,Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn,Ga,As,Se,Br,Sr,Ag,Cd,Sn,Sb,Ba,Hg,Tl,Pb,NH3,HF,HCl,HNO2,HNO3,G-SO2,Na+,NH4+,K+,Mg2+,Ca2+,F-,Cl-,NO2-,NO3-,PO43-,SO42-,Extinction,Scattering,Absorption,MEE,MSE,MAE,SSA,SAE450700,AAE370880,Vis_Naked,Vis_LPV,BC,VC,PBLH,T_OC,T_EC,O_OC,O_EC,POC,SOC,NOR,SOR,PM1,ALWC,pH,NH4_status,AS,AN,OM,Soil,SS,EC,SIA,total_mass,unknown_mass,AS_ratio,AN_ratio,OM_ratio,Soil_ratio,SS_ratio,EC_ratio,SIA_ratio,unknown_mass_ratio,AS_volume,AN_volume,OM_volume,Soil_volume,SS_volume,EC_volume,total_volume,AS_volume_ratio,AN_volume_ratio,OM_volume_ratio,Soil_volume_ratio,SS_volume_ratio,EC_volume_ratio,density,ALWC_volume_ratio,gRH,k_amb,k_dry,kappa_chem,kappa_vam,n_amb,n_dry,AS_ext_dry,AN_ext_dry,OM_ext_dry,Soil_ext_dry,SS_ext_dry,EC_ext_dry,total_ext_dry,AS_ext,AN_ext,OM_ext,Soil_ext,SS_ext,EC_ext,total_ext,ALWC_AS_ext,ALWC_AN_ext,ALWC_SS_ext,ALWC_ext,fRH_IMPR,ScatteringByGas,AbsorptionByGas,ExtinctionByGas,Number,GMDn,GSDn,mode_n,ultra_n,accum_n,coarse_n,Surface,GMDs,GSDs,mode_s,ultra_s,accum_s,coarse_s,Volume,GMDv,GSDv,mode_v,ultra_v,accum_v,coarse_v,Bext_internal,GMDext_in,GSDext_in,mode_ext_in,ultra_ext_in,accum_ext_in,coarse_ext_in,Bsca_internal,Babs_internal,Bext_external,GMDext_ex,GSDext_ex,mode_ext_ex,ultra_ext_ex,accum_ext_ex,coarse_ext_ex,Bsca_external,Babs_external,Bext_Fixed_PNSD,Bext_Fixed_RI,PG,MAC,Ox,N2O5_tracer,Vis_cal,OCEC_ratio,PM1/PM25,MEE_PNSD
 2021-02-01 00:00:00,2.5,10.4,53.0,42.6,1.3,14.6,2.2,2.0,0.2,84.0,56.0,1.3,306.0,20.5,76.8,24.4,0.99,2.67,0.19,0.68,0.21,,,,,,,,,,,,,,,,,,,,,,,,12.5774,,0.5693,0.4759,,0.0714,0.4765,11.6625,0.0743,0.2798,0.2885,,0.1486,0.5551,6.4869,,2.9681,179.879,129.306,50.573,3.212125969,2.309035714,0.903090254,0.718849677,1.624,1.356,,2.4,3593.466667,48.54,37.339,0.540278143,0.169467395,,,7.108993122,2.413756878,0.056,0.229,35.56,15.537361,3.88663594,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,11.3805792163543,14.058,25.4385792163544,65073.8724853036,26.1370756001682,2.27387008559594,11.8,0.9,0.1,0.0,1056999978.60697,202.561522810954,2.46787275826095,175.1255164,0.17,0.8,0.03,51861790000.2695,421.511551165032,2.3298013391531,378.4899973,0.03,0.8,0.16,,,,,,,,,,,,,,,,,,,,,205.317579216354,298.423186359831,57.2,621.96,6.09298472862313,,0.635,
 2021-02-01 01:00:00,2.1,1.8,36.7,34.8,0.9,21.1,2.2,2.1,0.1,73.0,49.0,1.2,291.0,19.7,80.5,24.4,1.14,1.84,0.12,0.43,0.11,,,,,,,,,,,,,,,,,,,,,,,,12.0403,,0.5965,0.3095,,0.0355,0.4456,11.057,0.0568,0.284,0.2534,,0.1092,0.2621,5.8583,,2.8003,162.183,120.322,41.861,3.309852291,2.45555102,0.854301271,0.741891421,1.668,1.285,10.0,2.4,3008.316667,50.13,41.775,0.466460746,0.148629793,,,6.036647232,1.923627768,0.061,0.25,32.2,18.378917,3.919787846,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,11.4116843184148,11.484,22.8956843184148,42275.3347651561,32.3417554250119,2.43890896537368,11.8,0.85,0.15,0.0,979132241.788556,213.495369564376,2.34216600590469,192.8357499,0.16,0.81,0.03,49066097131.0516,420.683242663998,2.27756054854188,378.4899973,0.03,0.81,0.15,,,,,,,,,,,,,,,,,,,,,185.078684318415,281.646089623498,55.9,734.28,6.75779828958646,,0.657142857142857,
 2021-02-01 02:00:00,2.9,9.8,61.0,51.1,0.99,10.7,2.4,2.1,0.3,94.0,70.0,1.3,299.0,19.4,82.8,24.4,1.08,1.98,0.14,0.14,0.12,0.479322,0.013841,0.001037,0.002118,0.026962,0.49815,,,0.039141,0.140642,,0.008099,0.003098,0.023387,,,,0.018278,0.011566,0.005437,,,0.009238,12.0026,,0.3118,0.2484,,0.0514,0.424,12.8777,0.0656,0.2885,0.2404,,0.1137,0.4371,8.3928,,2.7932,208.59,158.844,49.746,2.979859428,2.2692,0.710659428,0.761512432,1.75,1.31,,2.55,3570.75,58.135,44.719,0.624357056,0.20177276,,,7.06735645,2.12126855,0.06,0.194,34.93,24.048226,3.879511152,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,11.4233926128591,16.863,28.2863926128591,62303.8712944327,30.3238605222433,2.49086526854534,11.8,0.85,0.15,0.0,1391459557.50536,211.541054105552,2.30001297386085,186.741787,0.15,0.82,0.02,67916033048.9499,402.359688194295,2.22606883392695,366.5290201,0.03,0.84,0.13,,,,,,,,,,,,,,,,,,,,,236.876392612859,246.544677289442,61.8,546.77,5.25432666954312,,0.499,

aeroviz-0.1.5/AeroViz/dataProcess/Chemistry/__init__.py

@@ -0,0 +1,64 @@
+from ..core import Writer, run_process
+
+__all__ = ['Chemistry']
+
+
+class Chemistry(Writer):
+    # Reconstruction
+    @run_process('Chemistry - reconstruction basic', 'reconstrc_basic')
+    def ReConstrc_basic(self, *df_chem, df_ref=None, df_water=None, df_density=None, nam_lst=None):
+        from ._mass_volume import _basic
+
+        if nam_lst is None:
+            nam_lst = ['NH4+', 'SO42-', 'NO3-', 'Fe', 'Na+', 'OC', 'EC']
+
+        out = _basic(df_chem, df_ref, df_water, df_density, nam_lst=nam_lst)
+
+        return self, out
+
+    # Partition
+    @run_process('Chemistry -  Partition', 'partition')
+    def Partition(self, *df_chem, nam_lst=None):
+        from ._partition import _basic
+
+        if nam_lst is None:
+            nam_lst = ['NH4+', 'SO42-', 'NO3-', 'Cl-', 'NO2', 'HNO3', 'SO2', 'NH3', 'HCl', 'temp']
+
+        out = _basic(df_chem, nam_lst=nam_lst)
+
+        return self, out
+
+    # ISOROPIA
+    @run_process('Chemistry - ISOROPIA', 'isoropia')
+    def ISOROPIA(self, *df_chem, nam_lst=None):
+        from ._isoropia import _basic
+
+        if nam_lst is None:
+            nam_lst = ['Na+', 'SO42-', 'NH4+', 'NO3-', 'Cl-', 'Ca2+',
+                       'K+', 'Mg2+', 'NH3', 'HNO3', 'HCl', 'RH', 'temp']
+
+        if self.path_out is None:
+            raise ValueError('Please Input "path_out" !!')
+
+        out = _basic(df_chem, self.path_out, nam_lst=nam_lst)
+
+        return self, out
+
+    # OCEC
+    @run_process('Chemistry - OC/EC basic', 'ocec_basic')
+    def OCEC_basic(self, df_lcres, df_mass=None, ocec_ratio=None, ocec_ratio_month=1, hr_lim=200,
+                   least_square_range=(0.1, 2.5, 0.1), WISOC_OC_range=(0.2, 0.7, 0.01), ):
+        from ._ocec import _basic
+
+        out = _basic(df_lcres, df_mass, ocec_ratio, ocec_ratio_month, hr_lim, least_square_range, WISOC_OC_range)
+
+        return self, out
+
+    # TEOM
+    @run_process('Chemistry - TEOM basic', 'teom_basic')
+    def TEOM_basic(self, df_teom, df_check=None):
+        from ._teom import _basic
+
+        out = _basic(df_teom, df_check)
+
+        return self, out

{aeroviz-0.1.3b0 → aeroviz-0.1.5}/AeroViz/dataProcess/Chemistry/_isoropia.py

@@ -15,8 +15,8 @@ def _basic(df_che, path_out, nam_lst):
 
     df_umol = _ug2umol(df_all)
 
-    ## output
-    ## Na, SO4, NH3, NO3, Cl, Ca, K, Mg, RH, TEMP
+    # output
+    # Na, SO4, NH3, NO3, Cl, Ca, K, Mg, RH, TEMP
     df_input = DataFrame(index=index)
     df_out = DataFrame(index=index)
 
@@ -26,25 +26,25 @@ def _basic(df_che, path_out, nam_lst):
     pth_input.unlink(missing_ok=True)
     pth_output.unlink(missing_ok=True)
 
-    ## header
+    # header
     _header = 'Input units (0=umol/m3, 1=ug/m3)\n' + '0\n\n' + \
               'Problem type (0=forward, 1=reverse); Phase state (0=solid+liquid, 1=metastable)\n' + '0, 1\n\n' + \
               'NH4-SO4 system case\n'
 
-    ## software
+    # software
     path_iso = Path(__file__).parent / 'isrpia2.exe'
 
     # make input file and output temp input (without index)
-    ## NH3
+    # NH3
     df_input['NH3'] = df_umol['NH4+'].fillna(0).copy() + df_umol['NH3']
 
-    ## NO3
+    # NO3
     df_input['NO3'] = df_umol['HNO3'].fillna(0).copy() + df_umol['NO3-']
 
-    ## Cl
+    # Cl
     df_input['Cl'] = df_umol['HCl'].fillna(0).copy() + df_umol['Cl-']
 
-    ## temp, RH
+    # temp, RH
     df_input['RH'] = df_all['RH'] / 100
     df_input['TEMP'] = df_all['temp'] + 273.15
 
@@ -52,7 +52,7 @@ def _basic(df_che, path_out, nam_lst):
 
     df_input = df_input[['Na', 'SO4', 'NH3', 'NO3', 'Cl', 'Ca', 'K', 'Mg', 'RH', 'TEMP']].fillna('-').copy()
 
-    ## output the input data
+    # output the input data
     df_input.to_csv(pth_input, index=False)
     with (pth_input).open('r+', encoding='utf-8', errors='ignore') as _f:
         _cont = _f.read()
@@ -68,8 +68,8 @@ def _basic(df_che, path_out, nam_lst):
     # read dat file and transform to the normal name
     cond_idx = df_all[['SO42-', 'NH4+', 'NO3-']].dropna().index
 
-    with (pth_output).open('r', encoding='utf-8', errors='ignore') as f:
-        df_res = read_csv(f, delimiter='\s+').apply(to_numeric, errors='coerce').set_index(index)
+    with pth_output.open('r', encoding='utf-8', errors='ignore') as f:
+        df_res = read_csv(f, delimiter=r'\s+').apply(to_numeric, errors='coerce').set_index(index)
 
     df_out['H'] = df_res['HLIQ'] / (df_res['WATER'] / 1000)
 

{aeroviz-0.1.3b0 → aeroviz-0.1.5}/AeroViz/dataProcess/Chemistry/_mass_volume.py

@@ -6,7 +6,7 @@ def _basic(df_che, df_ref, df_water, df_density, nam_lst):
     index = df_all.index.copy()
     df_all.columns = nam_lst
 
-    ## parameter
+    # parameter
     mol_A, mol_S, mol_N = df_all['NH4+'] / 18, df_all['SO42-'] / 96, df_all['NO3-'] / 62
     df_all['status'] = (mol_A) / (2 * mol_S + mol_N)
 
@@ -43,7 +43,7 @@ def _basic(df_che, df_ref, df_water, df_density, nam_lst):
                       'EC': 1.80 + 0.72j,
                       },
 
-              ## m + kj -> m value is same as 550 current
+              # m + kj -> m value is same as 550 current
               '450': {'ALWC': 1.333 + 0j,
                       'AS': 1.57 + 0j,
                       'AN': 1.57 + 0j,
@@ -54,21 +54,21 @@ def _basic(df_che, df_ref, df_water, df_density, nam_lst):
                       },
               }
 
-    ## mass
-    ## NH4 Enough
+    # mass
+    # NH4 Enough
     df_mass = DataFrame()
     df_enough = df_all.where(df_all['status'] >= 1).dropna().copy()
 
     for _mass_nam, _coe in mass_coe.items():
         df_mass[_mass_nam] = df_all[convert_nam[_mass_nam]] * _coe
 
-    ## NH4 Deficiency
+    # NH4 Deficiency
     defic_idx = df_all['status'] < 1
 
     if defic_idx.any():
         residual = mol_A - 2 * mol_S
 
-        ## residual > 0
+        # residual > 0
         _status = residual > 0
         if _status.any():
             _cond = _status & (residual <= mol_N)
@@ -77,7 +77,7 @@ def _basic(df_che, df_ref, df_water, df_density, nam_lst):
             _cond = _status & (residual > mol_N)
             df_mass.loc[_cond, 'AN'] = mol_N.loc[_cond] * 80
 
-        ## residual < 0
+        # residual < 0
         _status = residual <= 0
         if _status.any():
             df_mass.loc[_status, 'AN'] = 0
@@ -94,19 +94,19 @@ def _basic(df_che, df_ref, df_water, df_density, nam_lst):
     qc_ratio = df_mass['total'] / df_ref
     qc_cond = (qc_ratio >= 0.7) & (qc_ratio <= 1.3)
 
-    ## volume
+    # volume
     df_vol = DataFrame()
     for _vol_nam, _coe in vol_coe.items():
         df_vol[_vol_nam] = df_mass_cal[_vol_nam] / _coe
 
     if df_water is not None:
-        df_vol['ALWC'] = df_water
+        df_vol['ALWC'] = df_water.copy()
         df_vol = df_vol.dropna()
         df_vol['total_wet'] = df_vol.sum(axis=1, min_count=6)
 
     df_vol['total_dry'] = df_vol[vol_coe.keys()].sum(axis=1, min_count=6)
 
-    ## density
+    # density
     df_vol_cal = DataFrame()
     df_den_rec = df_mass['total'] / df_vol['total_dry']
     if df_density is not None:
@@ -117,10 +117,10 @@ def _basic(df_che, df_ref, df_water, df_density, nam_lst):
                      df_den_all['OM'] / 1.4 + df_den_all['EC'] / 1.77
 
         df_den = df_den_all.sum(axis=1, min_count=6) / df_vol_cal
-    # df_den = df_den_all.sum(axis=1) / df_vol_cal
-    # df_den = df_mass['total'].loc[df_den_all.index] / df_vol_cal
+    else:
+        df_den = df_den_rec
 
-    ## refractive index
+    # refractive index
     ri_dic = {}
     for _lambda, _coe in RI_coe.items():
 
@@ -138,11 +138,11 @@ def _basic(df_che, df_ref, df_water, df_density, nam_lst):
 
         ri_dic[f'RI_{_lambda}'] = df_RI[['RI_dry', 'RI_wet']]
 
-    ## mole and equivalent
+    # mole and equivalent
     df_eq = concat((mol_A, mol_S, mol_N, mol_A * 1, mol_S * 2, mol_N * 1), axis=1)
     df_eq.columns = ['mol_NH4', 'mol_SO4', 'mol_NO3', 'eq_NH4', 'eq_SO4', 'eq_NO3', ]
 
-    ## out
+    # out
     out = {'mass': df_mass,
            'volume': df_vol,
            'vol_cal': df_vol_cal,
@@ -158,9 +158,6 @@ def _basic(df_che, df_ref, df_water, df_density, nam_lst):
     return out
 
 
-# '''
-
-
 def mass_ratio(_df):
     if _df['PM25'] >= _df['total_mass']:
         _df['others'] = _df['PM25'] - _df['total_mass']

{aeroviz-0.1.3b0 → aeroviz-0.1.5}/AeroViz/dataProcess/Chemistry/_ocec.py

@@ -2,7 +2,7 @@ import numpy as np
 from pandas import concat, DataFrame
 from scipy.optimize import curve_fit
 
-from AeroViz.dataProcess.core import _union_index
+from AeroViz.dataProcess.core import union_index
 
 __all__ = [
     '_basic',
@@ -16,7 +16,7 @@ def _min_Rsq(_oc, _ec, _rng):
 
     _out_table = DataFrame(_oc_mesh - _val_mesh * _ec_mesh, index=_oc.index, columns=_rng)
 
-    ## calculate R2
+    # calculate R2
     _r2_dic = {}
     _func = lambda _x, _sl, _inte: _sl * _x + _inte
     for _ocec, _out in _out_table.items():
@@ -30,28 +30,28 @@ def _min_Rsq(_oc, _ec, _rng):
 
         _r2_dic[round(_ocec, 3)] = 1. - _rss / _tss
 
-    ## get the min R2
+    # get the min R2
     _ratio = DataFrame(_r2_dic, index=[0]).idxmin(axis=1).values[0]
 
     return _ratio, _out_table[_ratio]
 
 
 def _ocec_ratio_cal(_nam, _lcres_splt, _hr_lim, _range_, _wisoc_range_):
-    ## parameter
+    # parameter
     _out = DataFrame(index=_lcres_splt.index)
     (_, _oc), (_, _ec) = _lcres_splt.items()
     # _oc, _ec = _lcres_splt['Thermal_OC'], _lcres_splt['Thermal_EC']
 
-    ## real data OC/EC
+    # real data OC/EC
     _ocec_ratio_real = (_oc / _ec).quantile(.5)
 
     _out[f'OC/EC_real_{_nam}'] = _ocec_ratio_real
     _out[f'POC_real_{_nam}'] = _ocec_ratio_real * _ec
     _out[f'SOC_real_{_nam}'] = _oc - _out[f'POC_real_{_nam}']
 
-    ## the least R2 method
-    ## estimated OC/EC
-    if (len(_lcres_splt) <= _hr_lim):
+    # the least R2 method
+    # estimated OC/EC
+    if len(_lcres_splt) <= _hr_lim:
         print(f"\t\t{_lcres_splt.index[0].strftime('%Y-%m-%d %X')} to {_lcres_splt.index[-1].strftime('%Y-%m-%d %X')}")
         print('\t\tPlease Modify the Values of "hour_limit" or Input Sufficient Amount of Data !!')
 
@@ -60,13 +60,13 @@ def _ocec_ratio_cal(_nam, _lcres_splt, _hr_lim, _range_, _wisoc_range_):
 
         return _out
 
-    if (len(_lcres_splt.dropna()) == 0):
+    if len(_lcres_splt.dropna()) == 0:
         _out[[f'OC/EC_{_nam}', f'POC_{_nam}', f'SOC_{_nam}', f'WISOC/OC_{_nam}', f'WSOC_{_nam}',
               f'WISOC_{_nam}']] = np.nan
 
         return _out
 
-    ## OC/EC
+    # OC/EC
     _ocec_ratio = False
     _st, _ed, _stp = _range_
 
@@ -78,12 +78,12 @@ def _ocec_ratio_cal(_nam, _lcres_splt, _hr_lim, _range_, _wisoc_range_):
 
         _ocec_ratio, _soc = _min_Rsq(_oc, _ec, _ocec_rng)
 
-    ## WISOC
+    # WISOC
     _st, _ed, _stp = _wisoc_range_
     _wisoc_rng = (np.arange(_st, _ed + _stp, _stp) * _ocec_ratio).round(5)
     _wisoc_ratio, _wsoc = _min_Rsq(_oc, _ec, _wisoc_rng)
 
-    ## out
+    # out
     _out[f'OC/EC_{_nam}'] = _ocec_ratio
     _out[f'SOC_{_nam}'] = _soc
     _out[f'POC_{_nam}'] = _oc - _out[f'SOC_{_nam}']
@@ -95,15 +95,16 @@ def _ocec_ratio_cal(_nam, _lcres_splt, _hr_lim, _range_, _wisoc_range_):
                  f'OC/EC_real_{_nam}', f'POC_real_{_nam}', f'SOC_real_{_nam}']]
 
 
-def _basic(_lcres, _res, _mass, _ocec_ratio, _ocec_ratio_month, _hr_lim, _range, _wisoc_range):
-    _lcres, _res, _mass = _union_index(_lcres, _res, _mass)
+def _basic(_lcres, _mass, _ocec_ratio, _ocec_ratio_month, _hr_lim, _range, _wisoc_range):
+    _lcres, _mass = union_index(_lcres, _mass)
 
     _out = {}
 
-    ## OC1, OC2, OC3, OC4, PC
-    _df_bsc = _res / _lcres['Sample_Volume'].to_frame().values.copy()
+    # OC1, OC2, OC3, OC4, PC
+    _df_bsc = _lcres[['OC1_raw', 'OC2_raw', 'OC3_raw', 'OC4_raw']] / _lcres['Sample_Volume'].to_frame().values.copy()
+    _df_bsc.rename(columns={'OC1_raw': 'OC1', 'OC2_raw': 'OC2', 'OC3_raw': 'OC3', 'OC4_raw': 'OC4'}, inplace=True)
 
-    ## SOC, POC, OC/EC
+    # SOC, POC, OC/EC
     if _ocec_ratio is not None:
         try:
             iter(_ocec_ratio)
@@ -126,7 +127,7 @@ def _basic(_lcres, _res, _mass, _ocec_ratio, _ocec_ratio_month, _hr_lim, _range,
 
     _df_bsc = concat((_df_bsc.copy(), _prcs_df), axis=1)
 
-    ## ratio
+    # ratio
     _df_ratio = DataFrame(index=_df_bsc.index)
 
     for _ky, _val in _df_bsc.items():
@@ -144,41 +145,15 @@ def _basic(_lcres, _res, _mass, _ocec_ratio, _ocec_ratio_month, _hr_lim, _range,
         _df_ratio[f'Optical_OC/PM'] = _lcres['Optical_OC'] / _mass
         _df_ratio[f'Optical_EC/PM'] = _lcres['Optical_EC'] / _mass
 
-    ## ratio status
+    # ratio status
     _df_bsc = concat((_lcres, _df_bsc.copy()), axis=1)
 
     for _ky, _df in _df_ratio.items():
         _df_bsc[f'{_ky}_status'] = 'Normal'
         _df_bsc[f'{_ky}_status'] = _df_bsc[f'{_ky}_status'].mask(_df > 1, 'Warning')
 
-    ## out
+    # out
     _out['ratio'] = _df_ratio
     _out['basic'] = _df_bsc
 
     return _out
-
-
-'''
-_ocec_mesh, _oc_mesh = n.meshgrid(_ocec_rng, _oc)
-_ocec_mesh, _ec_mesh = n.meshgrid(_ocec_rng, _ec)
-
-_soc_table = DataFrame(_oc_mesh-_ocec_mesh*_ec_mesh, index=_oc.index, columns=_ocec_rng)
-
-## calculate R2
-_r2_dic = {}
-_func = lambda _x, _sl, _inte : _sl*_x+_inte
-for _ocec, _soc in _soc_table.items():
-
-	_df = DataFrame([_soc.values, _ec.values]).T.dropna()
-	_x, _y = _df[0], _df[1]
-
-	_opt, _ = curve_fit(_func, _x, _y)
-
-	_tss = n.sum((_y - _y.mean())**2.)
-	_rss = n.sum((_y - _func(_x, *_opt))**2.)
-
-	_r2_dic[round(_ocec,2)] = 1. - _rss / _tss
-
-## get the min R2
-_ocec_ratio = DataFrame(_r2_dic, index=[0]).idxmin(axis=1).values[0]
-# '''

{aeroviz-0.1.3b0 → aeroviz-0.1.5}/AeroViz/dataProcess/Chemistry/_teom.py

@@ -1,7 +1,8 @@
 def _basic(_teom, _check):
+    import numpy as np
     _teom['Volatile_Fraction'] = (_teom['PM_Total'] - _teom['PM_NV']) / _teom['PM_Total']
 
-    _teom.loc[(_teom['Volatile_Fraction'] < 0) | (_teom['Volatile_Fraction'] > 1)] = n.nan
+    _teom.loc[(_teom['Volatile_Fraction'] < 0) | (_teom['Volatile_Fraction'] > 1)] = np.nan
 
     if _check is not None:
         _ratio = _teom['PM_NV'] / _check

aeroviz-0.1.5/AeroViz/dataProcess/Chemistry/isrpia.cnf

@@ -0,0 +1,21 @@
+*** [ INPUT/OUTPUT PARAMETERS ] ***
+CREATE REPORT IN FILE? (.T.=yes, .F.=no, on screen)
+.F.
+CREATE SPREADSHEET FILE? (.T.=yes, .F.=no)
+.T.
+
+*** [ SOLUTION CONTROL ] ***
+Convergence criterion (DEFAULT:1.D-6)
+1.D-6 
+Max iterations for bisection method (DEFAULT:100)
+100
+Sweeps for activity coef. calculation (DEFAULT:4)
+4
+Accuracy in activity coef. calculation (DEFAULT:5e-2)
+5e-2
+Subdivisions for root tracking (DEFAULT:5)
+5
+Method for binary activity coefs (0-online, 1-tables) (DEFAULT:1)
+1
+Force mass conservation to machine precision? (0-no, 1-yes) (DEFAULT:0)
+0

aeroviz-0.1.5/AeroViz/dataProcess/Optical/Angstrom_exponent.py

@@ -0,0 +1,20 @@
+import numpy as np
+import pandas as pd
+from scipy.optimize import curve_fit
+
+
+def get_species_wavelength(df, specified_band):
+    func = lambda wavelength, _sl, _int: _sl * wavelength + _int
+    popt, pcov = curve_fit(func, specified_band, df.values)
+
+    return func(np.array(specified_band), *popt)
+
+
+def get_Angstrom_exponent(df, band):
+    if (df <= 0).any():
+        return pd.Series([np.nan, np.nan], index=['slope', 'intercept'])  # 返回包含 NaN 的 Series，保持 DataFrame 结构
+
+    func = lambda wavelength, _sl, _int: _sl * wavelength + _int
+    popt, _ = curve_fit(func, np.log(band), np.log(df))
+
+    return pd.Series(popt, index=['slope', 'intercept'])  # 返回带有索引的 Series

{aeroviz-0.1.3b0 → aeroviz-0.1.5}/AeroViz/dataProcess/Optical/_IMPROVE.py

@@ -4,13 +4,13 @@ from pathlib import Path
 import numpy as np
 from pandas import DataFrame
 
-from AeroViz.dataProcess.core import _union_index
+from AeroViz.dataProcess.core import union_index
 
 
 def _revised(_df_mass, _df_RH):
-    _df_mass, _df_RH = _union_index(_df_mass, _df_RH)
+    _df_mass, _df_RH = union_index(_df_mass, _df_RH)
 
-    ## fRH
+    # fRH
     with (Path(__file__).parent / 'fRH.pkl').open('rb') as f:
         _fRH = pkl.load(f)
         _fRH.loc[np.nan] = np.nan
@@ -22,19 +22,19 @@ def _revised(_df_mass, _df_RH):
 
         return 1, 1, 1, 1
 
-    ## different mode
-    ## mass < 20 :
-    ## 				large = mass**2/20
-    ## 				small = mass-large
-    ## mass >= 20 :
-    ## 				large = mass
-    ## 				small = 0
+    # different mode
+    # mass < 20 :
+    # 				large = mass**2/20
+    # 				small = mass-large
+    # mass >= 20 :
+    # 				large = mass
+    # 				small = 0
     _df_mode = _df_mass[['AS', 'AN', 'OM']].copy()
 
     _df_mass[['L_AS', 'L_AN', 'L_OM']] = _df_mode.mask(_df_mode < 20, _df_mode ** 2 / 20)
     _df_mass[['S_AS', 'S_AN', 'S_OM']] = _df_mode.values - _df_mass[['L_AS', 'L_AN', 'L_OM']]
 
-    ## apply IMPROVE ccoe.
+    # apply IMPROVE ccoe.
     def _ext_cal(_RH=None):
 
         _frh, _frhss, _frhs, _frhl = fRH(_RH)
@@ -51,10 +51,8 @@ def _revised(_df_mass, _df_RH):
 
         return _df.dropna().reindex(_df_mass.index)
 
-    ## calculate
-    _out = {}
-
-    _out['dry'] = _ext_cal()
+    # calculate
+    _out = {'dry': _ext_cal()}
 
     if _df_RH is not None:
         _out['wet'] = _ext_cal(_df_RH)

aeroviz-0.1.5/AeroViz/dataProcess/Optical/__init__.py

@@ -0,0 +1,47 @@
+from ..core import Writer, run_process
+
+__all__ = ['Optical']
+
+
+class Optical(Writer):
+
+    @run_process('Optical - scaCoe', 'scaCoe')
+    def scaCoe(self, df_sca, instru, specified_band):
+        from ._scattering import _scaCoe
+
+        out = _scaCoe(df_sca, instru=instru, specified_band=[550] if specified_band is None else specified_band)
+
+        return self, out
+
+    @run_process('Optical - absCoe', 'absCoe')
+    def absCoe(self, df_ae33, instru, specified_band):
+        from ._absorption import _absCoe
+
+        out = _absCoe(df_ae33, instru=instru, specified_band=[550] if specified_band is None else specified_band)
+
+        return self, out
+
+    @run_process('Optical - basic', 'opt_basic')
+    def basic(self, df_sca, df_abs, df_mass=None, df_no2=None, df_temp=None):
+        from ._extinction import _basic
+
+        out = _basic(df_sca, df_abs, df_mass, df_no2, df_temp)
+
+        return self, out
+
+    @run_process('Optical - Mie', 'Mie')
+    def Mie(self, df_psd, df_m, wave_length=550):
+        from ._mie import _mie
+
+        out = _mie(df_psd, df_m, wave_length)
+
+        return self, out
+
+    @run_process('Optical - IMPROVE', 'IMPROVE')
+    def IMPROVE(self, df_mass, df_RH, method='revised'):
+        # _fc = __import__(f'_IMPROVE._{method}')
+        from ._IMPROVE import _revised
+
+        out = _revised(df_mass, df_RH)
+
+        return self, out

aeroviz-0.1.5/AeroViz/dataProcess/Optical/_absorption.py

@@ -0,0 +1,28 @@
+def _absCoe(df, instru, specified_band: list):
+    import numpy as np
+    from pandas import concat
+    from .Angstrom_exponent import get_Angstrom_exponent, get_species_wavelength
+
+    band_AE33 = np.array([370, 470, 520, 590, 660, 880, 950])
+    band_BC1054 = np.array([370, 430, 470, 525, 565, 590, 660, 700, 880, 950])
+
+    MAE_AE33 = np.array([18.47, 14.54, 13.14, 11.58, 10.35, 7.77, 7.19]) * 1e-3
+    MAE_BC1054 = np.array([18.48, 15.90, 14.55, 13.02, 12.10, 11.59, 10.36, 9.77, 7.77, 7.20]) * 1e-3
+
+    band = band_AE33 if instru == 'AE33' else band_BC1054
+    MAE = MAE_AE33 if instru == 'AE33' else MAE_BC1054
+    eBC = 'BC6' if instru == 'AE33' else 'BC9'
+
+    # calculate
+    df_abs = (df.copy().dropna() * MAE).copy()
+
+    df_out = df_abs.apply(get_species_wavelength, axis=1, result_type='expand', args=(specified_band,))
+    df_out.columns = [f'abs_{_band}' for _band in specified_band]
+    df_out['eBC'] = df[eBC]
+
+    df_AAE = df_abs.apply(get_Angstrom_exponent, axis=1, result_type='expand', args=(band,))
+    df_AAE.columns = ['AAE', 'AAE_intercept']
+    df_AAE = df_AAE.mask((-df_AAE['AAE'] < 0.8) | (-df_AAE['AAE'] > 2.)).copy()
+
+    _df = concat([df_out, df_AAE['AAE']], axis=1)
+    return _df.reindex(df.index)

aeroviz-0.1.5/AeroViz/dataProcess/Optical/_extinction.py

@@ -0,0 +1,42 @@
+from pandas import DataFrame
+
+from AeroViz.dataProcess.core import union_index
+
+
+def _basic(df_sca, df_abs, df_mass, df_no2, df_temp):
+    df_sca, df_abs, df_mass, df_no2, df_temp = union_index(df_sca, df_abs, df_mass, df_no2, df_temp)
+
+    df_out = DataFrame()
+
+    # abs and sca coe
+    df_out['abs'] = df_abs['abs_550'].copy()
+    df_out['sca'] = df_sca['sca_550'].copy()
+
+    # extinction coe.
+    df_out['ext'] = df_out['abs'] + df_out['sca']
+
+    # SSA
+    df_out['SSA'] = df_out['sca'] / df_out['ext']
+
+    # SAE, AAE, eBC
+    df_out['SAE'] = df_sca['SAE'].copy()
+    df_out['AAE'] = df_abs['AAE'].copy()
+    df_out['eBC'] = df_abs['eBC'].copy() / 1e3
+
+    # MAE, MSE, MEE
+    if df_mass is not None:
+        df_out['MAE'] = df_out['abs'] / df_mass
+        df_out['MSE'] = df_out['sca'] / df_mass
+        df_out['MEE'] = df_out['MSE'] + df_out['MAE']
+
+    # gas absorbtion
+    if df_no2 is not None:
+        df_out['abs_gas'] = df_no2 * .33
+
+    if df_temp is not None:
+        df_out['sca_gas'] = (11.4 * 293 / (273 + df_temp))
+
+    if df_no2 is not None and df_temp is not None:
+        df_out['ext_all'] = df_out['ext'] + df_out['abs_gas'] + df_out['sca_gas']
+
+    return df_out

{aeroviz-0.1.3b0 → aeroviz-0.1.5}/AeroViz/dataProcess/Optical/_mie.py

@@ -1,5 +1,4 @@
 # from PyMieScatt import Mie_SD
-# from PyMieScatt import Mie_SD
 
 from ._mie_sd import Mie_SD