AeroViz 0.1.21__py3-none-any.whl

AeroViz/dataProcess/Chemistry/_ocec.py

@@ -0,0 +1,172 @@
+import warnings
+
+import numpy as np
+from pandas import concat, DataFrame
+from scipy.optimize import curve_fit, least_squares, OptimizeWarning
+
+from AeroViz.dataProcess.core import union_index
+
+__all__ = [
+    '_basic',
+    # '_ocec_ratio_cal',
+]
+
+
+def _min_Rsq(_oc, _ec, _rng):
+    _val_mesh, _oc_mesh = np.meshgrid(_rng, _oc)
+    _val_mesh, _ec_mesh = np.meshgrid(_rng, _ec)
+
+    _out_table = DataFrame(_oc_mesh - _val_mesh * _ec_mesh, index=_oc.index, columns=_rng)
+
+    # calculate R2
+    _r2_dic = {}
+    _func = lambda _x, _sl, _inte: _sl * _x + _inte
+    for _ocec, _out in _out_table.items():
+        _df = DataFrame([_out.values, _ec.values]).T.dropna()
+
+        _x, _y = _df[0].values, _df[1].values
+
+        # 初始參數估計
+        slope_guess = (_y[-1] - _y[0]) / (_x[-1] - _x[0])
+        intercept_guess = _y[0] - slope_guess * _x[0]
+
+        try:
+            with warnings.catch_warnings():
+                warnings.filterwarnings('error')
+                _opt, _ = curve_fit(_func, _x, _y, p0=[slope_guess, intercept_guess], maxfev=5000)
+        except (RuntimeWarning, OptimizeWarning):
+            # 如果 curve_fit 失敗，嘗試使用 least_squares
+            residuals = lambda p: _func(_x, *p) - _y
+            _opt = least_squares(residuals, [slope_guess, intercept_guess]).x
+
+        _tss = np.sum((_y - np.mean(_y)) ** 2)
+        _rss = np.sum((_y - _func(_x, *_opt)) ** 2)
+
+        _r2_dic[round(_ocec, 3)] = 1 - _rss / _tss
+
+    _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
+    _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
+    _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:
+        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 !!')
+
+        _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
+
+    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
+    _ocec_ratio = False
+    _st, _ed, _stp = _range_
+
+    for _ in range(2):
+        if _ocec_ratio:
+            _ocec_rng = np.arange(_ocec_ratio - _stp / 2, _ocec_ratio + _stp / 2, .01).round(3)
+        else:
+            _ocec_rng = np.arange(_st, _ed + _stp, _stp).round(3)
+
+        _ocec_ratio, _soc = _min_Rsq(_oc, _ec, _ocec_rng)
+
+    # 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[f'OC/EC_{_nam}'] = _ocec_ratio
+    _out[f'SOC_{_nam}'] = _soc
+    _out[f'POC_{_nam}'] = _oc - _out[f'SOC_{_nam}']
+    _out[f'WISOC/OC_{_nam}'] = _wisoc_ratio
+    _out[f'WSOC_{_nam}'] = _wsoc
+    _out[f'WISOC_{_nam}'] = _oc - _out[f'WSOC_{_nam}']
+
+    return _out[[f'OC/EC_{_nam}', f'POC_{_nam}', f'SOC_{_nam}', f'WISOC/OC_{_nam}', f'WSOC_{_nam}', f'WISOC_{_nam}',
+                 f'OC/EC_real_{_nam}', f'POC_real_{_nam}', f'SOC_real_{_nam}']]
+
+
+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 = _lcres[['OC1', 'OC2', 'OC3', 'OC4', 'PC']].copy()
+
+    # SOC, POC, OC/EC
+    if _ocec_ratio is not None:
+        try:
+            iter(_ocec_ratio)
+        except TypeError:
+            raise TypeError('"ocec_ratio" Only Accept a Single Value !!')
+
+        _prcs_df = DataFrame(index=_df_bsc.index)
+        _prcs_df['OC/EC'] = _ocec_ratio
+        _prcs_df['POC'] = _ocec_ratio * _lcres['Thermal_EC']
+        _prcs_df['SOC'] = _lcres['Thermal_OC'] - _prcs_df['POC']
+
+    else:
+        _df_lst = []
+        for _, _df in _lcres.resample(f'{_ocec_ratio_month}MS', closed='left'):
+            _thm_cal = _ocec_ratio_cal('thm', _df[['Thermal_OC', 'Thermal_EC']], _hr_lim, _range, _wisoc_range)
+            _opt_cal = _ocec_ratio_cal('opt', _df[['Optical_OC', 'Optical_EC']], _hr_lim, _range, _wisoc_range)
+            _df_lst.append(concat([_thm_cal, _opt_cal], axis=1))
+
+        _prcs_df = concat(_df_lst)
+
+    _df_bsc = concat((_df_bsc.copy(), _prcs_df), axis=1)
+
+    # ratio
+    _df_ratio = DataFrame(index=_df_bsc.index)
+
+    for _ky, _val in _df_bsc.items():
+        if 'OC/EC' in _ky:
+            continue
+        _df_ratio[f'{_ky}/Thermal_OC'] = _val / _lcres['Thermal_OC']
+        _df_ratio[f'{_ky}/Optical_OC'] = _val / _lcres['Optical_OC']
+
+    if _mass is not None:
+        for _ky, _val in _df_bsc.items():
+            _df_ratio[f'{_ky}/PM'] = _val / _mass
+
+        _df_ratio[f'Thermal_OC/PM'] = _lcres['Thermal_OC'] / _mass
+        _df_ratio[f'Thermal_EC/PM'] = _lcres['Thermal_EC'] / _mass
+
+        _df_ratio[f'Optical_OC/PM'] = _lcres['Optical_OC'] / _mass
+        _df_ratio[f'Optical_EC/PM'] = _lcres['Optical_EC'] / _mass
+
+    # ratio status
+    _df_bsc = concat((_lcres.loc[:, :'Sample_Volume'], _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['basic'] = _df_bsc
+    _out['ratio'] = _df_ratio
+
+    return _out

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