import numpy as np
import pandas as pd
import sys
sys.path.append("..")
import matplotlib.pyplot as plt
import Thermobar as pt
import sympy as sym
pd.options.display.max_columns = None
LiqT=pd.DataFrame(data={"Sample_ID_Liq": 'test',
"SiO2_Liq": 51,
"TiO2_Liq": 0.48,
"Al2O3_Liq": 19,
"FeOt_Liq": 5.3,
"MnO_Liq": 0.1,
"MgO_Liq": 4.5,
"CaO_Liq": 9,
"Na2O_Liq": 4.2,
"K2O_Liq": 0.1,
"Cr2O3_Liq": 0.11,
"P2O5_Liq": 0.11,
"H2O_Liq": 5,
"Fe3FeT_Liq":0.1,
}, index=[0])
PlagT=pd.DataFrame(data={"Sample_ID_Plag": 'test1',
"SiO2_Plag": 57.3,
"TiO2_Plag": 0.09,
"Al2O3_Plag": 26.6,
"FeOt_Plag": 0.43,
"MnO_Plag": 0,
"MgO_Plag": 0.03,
"CaO_Plag": 8.83,
"Na2O_Plag": 6.11,
"K2O_Plag": 0.49,
"Cr2O3_Plag": 0.0}, index=[0])
PlagT2=pd.DataFrame(data={"Sample_ID_Plag": 'testplg2',
"SiO2_Plag": 57.9,
"TiO2_Plag": 1.09,
"Al2O3_Plag": 26.6,
"FeOt_Plag": 0.43,
"MnO_Plag": 0,
"MgO_Plag": 0.03,
"CaO_Plag": 8.83,
"Na2O_Plag": 6.11,
"K2O_Plag": 0.49,
"Cr2O3_Plag": 0.0}, index=[0])
KsparT=pd.DataFrame(data={"Sample_ID_Kspar": 'test2',
"SiO2_Kspar": 65.5,
"TiO2_Kspar": 0.0,
"Al2O3_Kspar": 19.6,
"FeOt_Kspar": 0.07,
"MnO_Kspar": 0,
"MgO_Kspar": 0.0,
"CaO_Kspar": 0.75,
"Na2O_Kspar": 4.81,
"K2O_Kspar": 9.36,
"Cr2O3_Kspar": 0.0}, index=[0])
LiqT2=pd.DataFrame(data={"Sample_ID_Liq": 'testliq2',
"SiO2_Liq": 61,
"TiO2_Liq": 0.45,
"Al2O3_Liq": 18.56,
"FeOt_Liq": 3.17,
"MnO_Liq": 0.27,
"MgO_Liq": 0.23,
"CaO_Liq": 1.64,
"Na2O_Liq": 6.11,
"K2O_Liq": 7.09,
"Cr2O3_Liq": 0,
"P2O5_Liq": 0.02,
"H2O_Liq": 2,
"Fe3FeT_Liq":0,
}, index=[0])
Liq_Several=pd.concat([LiqT, LiqT2])
Plag_Several=pd.concat([PlagT, PlagT2])
pt.calculate_fspar_liq_temp_matching(liq_comps=Liq_Several, plag_comps=Plag_Several,
equationT='T_Put2008_eq24a',
P=5, Ab_An_P2008=True)['All_PTs']['T_K_calc'][0]
Considering N=2 Fspar & N=2 Liqs, which is a total of N=4 Liq-Fspar pairs, be patient if this is >>1 million! Applying filter to only average those that pass the An-Ab eq test of Putirka, 2008 Done!!! I found a total of N=2 Fspar-Liq matches using the specified filter. N=4 Fspar out of the N=2 Fspar that you input matched to 1 or more liquids
1236.0082305446053
Temp_H2O=pt.calculate_fspar_liq_temp_hygr(plag_comps=PlagT, liq_comps=LiqT, equationT="T_Put2008_eq23",
equationH="H_Waters2015", iterations=10, P=10)
Temp_H2O['T_H_calc']
10
# of iterations | T_K_calc | Delta T (last 2 iters) | H2O_calc | Delta H (last 2 iters) | Pass An-Ab Eq Test Put2008? | Delta_An | Delta_Ab | Delta_Or | Pred_An_EqE | Pred_Ab_EqF | Pred_Or_EqG | Obs_Kd_Ab_An | SiO2_Plag | TiO2_Plag | Al2O3_Plag | FeOt_Plag | MnO_Plag | MgO_Plag | CaO_Plag | Na2O_Plag | K2O_Plag | Cr2O3_Plag | Si_Plag_cat_prop | Mg_Plag_cat_prop | Fet_Plag_cat_prop | Ca_Plag_cat_prop | Al_Plag_cat_prop | Na_Plag_cat_prop | K_Plag_cat_prop | Mn_Plag_cat_prop | Ti_Plag_cat_prop | Cr_Plag_cat_prop | sum | Si_Plag_cat_frac | Mg_Plag_cat_frac | Fet_Plag_cat_frac | Ca_Plag_cat_frac | Al_Plag_cat_frac | Na_Plag_cat_frac | K_Plag_cat_frac | Mn_Plag_cat_frac | Ti_Plag_cat_frac | Cr_Plag_cat_frac | An_Plag | Ab_Plag | Or_Plag | SiO2_Liq | TiO2_Liq | Al2O3_Liq | FeOt_Liq | MnO_Liq | MgO_Liq | CaO_Liq | Na2O_Liq | K2O_Liq | Cr2O3_Liq | P2O5_Liq | H2O_Liq | Fe3FeT_Liq | SiO2_Liq_mol_frac | MgO_Liq_mol_frac | MnO_Liq_mol_frac | FeOt_Liq_mol_frac | CaO_Liq_mol_frac | Al2O3_Liq_mol_frac | Na2O_Liq_mol_frac | K2O_Liq_mol_frac | TiO2_Liq_mol_frac | P2O5_Liq_mol_frac | Cr2O3_Liq_mol_frac | Si_Liq_cat_frac | Mg_Liq_cat_frac | Mn_Liq_cat_frac | Fet_Liq_cat_frac | Ca_Liq_cat_frac | Al_Liq_cat_frac | Na_Liq_cat_frac | K_Liq_cat_frac | Ti_Liq_cat_frac | P_Liq_cat_frac | Cr_Liq_cat_frac | Mg_Number_Liq_Fe3 | Mg_Number_Liq_NoFe3 | P | T | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 10 | 1362.263707 | -0.851053 | 3.820911 | 0.021159 | High T: No | 0.247358 | 0.361385 | 0.027374 | 0.678724 | 0.178748 | 0.001127 | 0.65105 | 57.3 | 0.09 | 26.6 | 0.43 | 0 | 0.03 | 8.83 | 6.11 | 0.49 | 0.0 | 0.95366 | 0.000744 | 0.005985 | 0.157461 | 0.521768 | 0.197164 | 0.010404 | 0.0 | 0.001127 | 0.0 | 1.848313 | 0.515962 | 0.000403 | 0.003238 | 0.085192 | 0.282294 | 0.106672 | 0.005629 | 0.0 | 0.00061 | 0.0 | 0.431366 | 0.540133 | 0.028501 | 51 | 0.48 | 19 | 5.3 | 0.1 | 4.5 | 9 | 4.2 | 0.1 | 0.11 | 0.11 | 5 | 0.1 | 0.58185 | 0.076535 | 0.000966 | 0.050568 | 0.110016 | 0.127738 | 0.046452 | 0.000728 | 0.004119 | 0.000531 | 0.000496 | 0.494793 | 0.065084 | 0.000822 | 0.043002 | 0.093555 | 0.217252 | 0.079004 | 0.001238 | 0.003503 | 0.000904 | 0.000844 | 0.602144 | 0.602144 | 10 | 1363.11476 |
Temp_H2O=pt.calculate_fspar_liq_temp_hygr(plag_comps=PlagT, liq_comps=LiqT, equationT="T_Put2008_eq24a",
equationH="H_Waters2015", iterations=10, P=10)
Temp_H2O['T_H_calc']
10
# of iterations | T_K_calc | Delta T (last 2 iters) | H2O_calc | Delta H (last 2 iters) | Pass An-Ab Eq Test Put2008? | Delta_An | Delta_Ab | Delta_Or | Pred_An_EqE | Pred_Ab_EqF | Pred_Or_EqG | Obs_Kd_Ab_An | SiO2_Plag | TiO2_Plag | Al2O3_Plag | FeOt_Plag | MnO_Plag | MgO_Plag | CaO_Plag | Na2O_Plag | K2O_Plag | Cr2O3_Plag | Si_Plag_cat_prop | Mg_Plag_cat_prop | Fet_Plag_cat_prop | Ca_Plag_cat_prop | Al_Plag_cat_prop | Na_Plag_cat_prop | K_Plag_cat_prop | Mn_Plag_cat_prop | Ti_Plag_cat_prop | Cr_Plag_cat_prop | sum | Si_Plag_cat_frac | Mg_Plag_cat_frac | Fet_Plag_cat_frac | Ca_Plag_cat_frac | Al_Plag_cat_frac | Na_Plag_cat_frac | K_Plag_cat_frac | Mn_Plag_cat_frac | Ti_Plag_cat_frac | Cr_Plag_cat_frac | An_Plag | Ab_Plag | Or_Plag | SiO2_Liq | TiO2_Liq | Al2O3_Liq | FeOt_Liq | MnO_Liq | MgO_Liq | CaO_Liq | Na2O_Liq | K2O_Liq | Cr2O3_Liq | P2O5_Liq | H2O_Liq | Fe3FeT_Liq | SiO2_Liq_mol_frac | MgO_Liq_mol_frac | MnO_Liq_mol_frac | FeOt_Liq_mol_frac | CaO_Liq_mol_frac | Al2O3_Liq_mol_frac | Na2O_Liq_mol_frac | K2O_Liq_mol_frac | TiO2_Liq_mol_frac | P2O5_Liq_mol_frac | Cr2O3_Liq_mol_frac | Si_Liq_cat_frac | Mg_Liq_cat_frac | Mn_Liq_cat_frac | Fet_Liq_cat_frac | Ca_Liq_cat_frac | Al_Liq_cat_frac | Na_Liq_cat_frac | K_Liq_cat_frac | Ti_Liq_cat_frac | P_Liq_cat_frac | Cr_Liq_cat_frac | Mg_Number_Liq_Fe3 | Mg_Number_Liq_NoFe3 | P | T | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 10 | 1391.82907 | -0.15753 | 3.380639 | 0.004505 | High T: No | 0.278812 | 0.373775 | 0.027185 | 0.710178 | 0.166358 | 0.001316 | 0.65105 | 57.3 | 0.09 | 26.6 | 0.43 | 0 | 0.03 | 8.83 | 6.11 | 0.49 | 0.0 | 0.95366 | 0.000744 | 0.005985 | 0.157461 | 0.521768 | 0.197164 | 0.010404 | 0.0 | 0.001127 | 0.0 | 1.848313 | 0.515962 | 0.000403 | 0.003238 | 0.085192 | 0.282294 | 0.106672 | 0.005629 | 0.0 | 0.00061 | 0.0 | 0.431366 | 0.540133 | 0.028501 | 51 | 0.48 | 19 | 5.3 | 0.1 | 4.5 | 9 | 4.2 | 0.1 | 0.11 | 0.11 | 5 | 0.1 | 0.58185 | 0.076535 | 0.000966 | 0.050568 | 0.110016 | 0.127738 | 0.046452 | 0.000728 | 0.004119 | 0.000531 | 0.000496 | 0.494793 | 0.065084 | 0.000822 | 0.043002 | 0.093555 | 0.217252 | 0.079004 | 0.001238 | 0.003503 | 0.000904 | 0.000844 | 0.602144 | 0.602144 | 10 | 1391.9866 |
Temp_H2O=pt.calculate_fspar_liq_temp_hygr(plag_comps=PlagT, liq_comps=LiqT, equationT="T_Put2008_eq24a",
equationH="H_Put2005_eqH", iterations=10, P=10)
Temp_H2O['T_H_calc']
10
# of iterations | T_K_calc | Delta T (last 2 iters) | H2O_calc | Delta H (last 2 iters) | Pass An-Ab Eq Test Put2008? | Delta_An | Delta_Ab | Delta_Or | Pred_An_EqE | Pred_Ab_EqF | Pred_Or_EqG | Obs_Kd_Ab_An | SiO2_Plag | TiO2_Plag | Al2O3_Plag | FeOt_Plag | MnO_Plag | MgO_Plag | CaO_Plag | Na2O_Plag | K2O_Plag | Cr2O3_Plag | Si_Plag_cat_prop | Mg_Plag_cat_prop | Fet_Plag_cat_prop | Ca_Plag_cat_prop | Al_Plag_cat_prop | Na_Plag_cat_prop | K_Plag_cat_prop | Mn_Plag_cat_prop | Ti_Plag_cat_prop | Cr_Plag_cat_prop | sum | Si_Plag_cat_frac | Mg_Plag_cat_frac | Fet_Plag_cat_frac | Ca_Plag_cat_frac | Al_Plag_cat_frac | Na_Plag_cat_frac | K_Plag_cat_frac | Mn_Plag_cat_frac | Ti_Plag_cat_frac | Cr_Plag_cat_frac | An_Plag | Ab_Plag | Or_Plag | SiO2_Liq | TiO2_Liq | Al2O3_Liq | FeOt_Liq | MnO_Liq | MgO_Liq | CaO_Liq | Na2O_Liq | K2O_Liq | Cr2O3_Liq | P2O5_Liq | H2O_Liq | Fe3FeT_Liq | SiO2_Liq_mol_frac | MgO_Liq_mol_frac | MnO_Liq_mol_frac | FeOt_Liq_mol_frac | CaO_Liq_mol_frac | Al2O3_Liq_mol_frac | Na2O_Liq_mol_frac | K2O_Liq_mol_frac | TiO2_Liq_mol_frac | P2O5_Liq_mol_frac | Cr2O3_Liq_mol_frac | Si_Liq_cat_frac | Mg_Liq_cat_frac | Mn_Liq_cat_frac | Fet_Liq_cat_frac | Ca_Liq_cat_frac | Al_Liq_cat_frac | Na_Liq_cat_frac | K_Liq_cat_frac | Ti_Liq_cat_frac | P_Liq_cat_frac | Cr_Liq_cat_frac | Mg_Number_Liq_Fe3 | Mg_Number_Liq_NoFe3 | P | T | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 10 | 1217.044852 | -0.00005 | 9.09812 | 0.000002 | Low T: Yes | 0.090851 | 0.269262 | 0.028042 | 0.522217 | 0.27087 | 0.00046 | 0.65105 | 57.3 | 0.09 | 26.6 | 0.43 | 0 | 0.03 | 8.83 | 6.11 | 0.49 | 0.0 | 0.95366 | 0.000744 | 0.005985 | 0.157461 | 0.521768 | 0.197164 | 0.010404 | 0.0 | 0.001127 | 0.0 | 1.848313 | 0.515962 | 0.000403 | 0.003238 | 0.085192 | 0.282294 | 0.106672 | 0.005629 | 0.0 | 0.00061 | 0.0 | 0.431366 | 0.540133 | 0.028501 | 51 | 0.48 | 19 | 5.3 | 0.1 | 4.5 | 9 | 4.2 | 0.1 | 0.11 | 0.11 | 5 | 0.1 | 0.58185 | 0.076535 | 0.000966 | 0.050568 | 0.110016 | 0.127738 | 0.046452 | 0.000728 | 0.004119 | 0.000531 | 0.000496 | 0.494793 | 0.065084 | 0.000822 | 0.043002 | 0.093555 | 0.217252 | 0.079004 | 0.001238 | 0.003503 | 0.000904 | 0.000844 | 0.602144 | 0.602144 | 10 | 1217.044901 |
T_PL_eq23_5kbar=pt.calculate_fspar_liq_temp(plag_comps=PlagT, liq_comps=LiqT, equationT="T_Put2008_eq23", P=5)
T_PL_eq23_5kbar.head()
0 1295.359719 dtype: float64
T_PL_eq23_5kbar=pt.calculate_fspar_liq_temp(plag_comps=PlagT, liq_comps=LiqT2, equationT="T_Put2008_eq24a", P=5)
T_PL_eq23_5kbar.head()
0 1236.008231 dtype: float64
T_PL_eq23_5kbar=pt.calculate_fspar_liq_temp(plag_comps=PlagT, liq_comps=LiqT, equationT="T_Put2008_eq24a", P=5, H2O_Liq=0)
T_PL_eq23_5kbar.head()
0 1483.297388 dtype: float64
pt.calculate_fspar_liq_temp(kspar_comps=KsparT, liq_comps=LiqT2,
equationT="T_Put2008_eq24b", P=5, H2O_Liq=0)[0]
1207.9736462073308
pt.calculate_fspar_liq_temp(kspar_comps=KsparT, liq_comps=LiqT2,
equationT="T_Put2008_eq24b", P=5)[0]
1207.9736462073308
pt.calculate_fspar_liq_press(plag_comps=PlagT, liq_comps=LiqT,
equationP="P_Put2008_eq25", T=1000)
0 -7.199104 dtype: float64
pt.calculate_fspar_liq_press_temp(plag_comps=PlagT, liq_comps=LiqT,
equationP="P_Put2008_eq25", equationT="T_Put2008_eq24a")
P_kbar_calc | T_K_calc | Delta_P_kbar_Iter | Delta_T_K_Iter | |
---|---|---|---|---|
0 | 7.005588 | 1319.769669 | 0.0 | 0.0 |
pt.calculate_fspar_liq_hygr(liq_comps=LiqT, plag_comps=PlagT, equationH="H_Waters2015", T=1000+273.15, P=1)
Pass An-Ab Eq Test Put2008? | H2O_calc | Delta_An | Delta_Ab | Delta_Or | Pred_An_EqE | Pred_Ab_EqF | Pred_Or_EqG | Obs_Kd_Ab_An | An_Plag | Ab_Plag | SiO2_Plag | TiO2_Plag | Al2O3_Plag | FeOt_Plag | MnO_Plag | MgO_Plag | CaO_Plag | Na2O_Plag | K2O_Plag | Cr2O3_Plag | SiO2_Plag_cat_prop | MgO_Plag_cat_prop | FeOt_Plag_cat_prop | CaO_Plag_cat_prop | Al2O3_Plag_cat_prop | Na2O_Plag_cat_prop | K2O_Plag_cat_prop | MnO_Plag_cat_prop | TiO2_Plag_cat_prop | Cr2O3_Plag_cat_prop | sum | SiO2_Plag_cat_frac | MgO_Plag_cat_frac | FeOt_Plag_cat_frac | CaO_Plag_cat_frac | Al2O3_Plag_cat_frac | Na2O_Plag_cat_frac | K2O_Plag_cat_frac | MnO_Plag_cat_frac | TiO2_Plag_cat_frac | Cr2O3_Plag_cat_frac | Or_Plag | SiO2_Liq | TiO2_Liq | Al2O3_Liq | FeOt_Liq | MnO_Liq | MgO_Liq | CaO_Liq | Na2O_Liq | K2O_Liq | Cr2O3_Liq | P2O5_Liq | H2O_Liq | Fe3FeT_Liq | SiO2_Liq_mol_frac | MgO_Liq_mol_frac | MnO_Liq_mol_frac | FeOt_Liq_mol_frac | CaO_Liq_mol_frac | Al2O3_Liq_mol_frac | Na2O_Liq_mol_frac | K2O_Liq_mol_frac | TiO2_Liq_mol_frac | P2O5_Liq_mol_frac | Cr2O3_Liq_mol_frac | Al2O3_Liq_mol_frac_v2 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | Low T: Yes | 5.148449 | 0.333778 | 0.384882 | 0.027837 | 0.765144 | 0.155251 | 0.000665 | 0.65105 | 0.431366 | 0.540133 | 57.3 | 0.09 | 26.6 | 0.43 | 0 | 0.03 | 8.83 | 6.11 | 0.49 | 0.0 | 0.95366 | 0.000744 | 0.005985 | 0.157461 | 0.521768 | 0.197164 | 0.010404 | 0.0 | 0.001127 | 0.0 | 1.848313 | 0.515962 | 0.000403 | 0.003238 | 0.085192 | 0.282294 | 0.106672 | 0.005629 | 0.0 | 0.00061 | 0.0 | 0.028501 | 51 | 0.48 | 19 | 5.3 | 0.1 | 4.5 | 9 | 4.2 | 0.1 | 0.11 | 0.11 | 5 | 0.1 | 0.583438 | 0.076744 | 0.0 | 0.050706 | 0.110316 | 0.0 | 0.046579 | 0.00073 | 0.00413 | 0.0 | 0.0 | 0.127357 |
pt.calculate_fspar_liq_hygr(liq_comps=LiqT, XAn=0.5, XAb=0.4, equationH="H_Waters2015", T=1000+273.15, P=1)
Pass An-Ab Eq Test Put2008? | H2O_calc | Delta_An | Delta_Ab | Delta_Or | Pred_An_EqE | Pred_Ab_EqF | Pred_Or_EqG | Obs_Kd_Ab_An | An | Ab | |
---|---|---|---|---|---|---|---|---|---|---|---|
0 | Low T: Yes | 5.289477 | 0.265144 | 0.244749 | 0.000665 | 0.765144 | 0.155251 | 0.000665 | 0.415958 | 0.5 | 0.4 |
pt.calculate_fspar_liq_hygr(liq_comps=LiqT, plag_comps=PlagT, equationH="H_Put2005_eqH", T=1000+273.15, P=1)
H2O_calc | Pass An-Ab Eq Test Put2008? | Delta_An | Delta_Ab | Delta_Or | Pred_An_EqE | Pred_Ab_EqF | Pred_Or_EqG | Obs_Kd_Ab_An | SiO2_Plag | TiO2_Plag | Al2O3_Plag | FeOt_Plag | MnO_Plag | MgO_Plag | CaO_Plag | Na2O_Plag | K2O_Plag | Cr2O3_Plag | SiO2_Plag_cat_prop | MgO_Plag_cat_prop | FeOt_Plag_cat_prop | CaO_Plag_cat_prop | Al2O3_Plag_cat_prop | Na2O_Plag_cat_prop | K2O_Plag_cat_prop | MnO_Plag_cat_prop | TiO2_Plag_cat_prop | Cr2O3_Plag_cat_prop | sum | SiO2_Plag_cat_frac | MgO_Plag_cat_frac | FeOt_Plag_cat_frac | CaO_Plag_cat_frac | Al2O3_Plag_cat_frac | Na2O_Plag_cat_frac | K2O_Plag_cat_frac | MnO_Plag_cat_frac | TiO2_Plag_cat_frac | Cr2O3_Plag_cat_frac | An_Plag | Ab_Plag | Or_Plag | SiO2_Liq | TiO2_Liq | Al2O3_Liq | FeOt_Liq | MnO_Liq | MgO_Liq | CaO_Liq | Na2O_Liq | K2O_Liq | Cr2O3_Liq | P2O5_Liq | H2O_Liq | Fe3FeT_Liq | SiO2_Liq_mol_frac | MgO_Liq_mol_frac | MnO_Liq_mol_frac | FeOt_Liq_mol_frac | CaO_Liq_mol_frac | Al2O3_Liq_mol_frac | Na2O_Liq_mol_frac | K2O_Liq_mol_frac | TiO2_Liq_mol_frac | P2O5_Liq_mol_frac | Cr2O3_Liq_mol_frac | SiO2_Liq_cat_frac | MgO_Liq_cat_frac | MnO_Liq_cat_frac | FeOt_Liq_cat_frac | CaO_Liq_cat_frac | Al2O3_Liq_cat_frac | Na2O_Liq_cat_frac | K2O_Liq_cat_frac | TiO2_Liq_cat_frac | P2O5_Liq_cat_frac | Cr2O3_Liq_cat_frac | FeO_Liq_cat_frac | Mg_Number_Liq_NoFe3 | Mg_Number_Liq_Fe3 | P | T | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 9.646943 | Low T: Yes | 0.333778 | 0.384882 | 0.027837 | 0.765144 | 0.155251 | 0.000665 | 0.65105 | 57.3 | 0.09 | 26.6 | 0.43 | 0 | 0.03 | 8.83 | 6.11 | 0.49 | 0.0 | 0.95366 | 0.000744 | 0.005985 | 0.157461 | 0.521768 | 0.197164 | 0.010404 | 0.0 | 0.001127 | 0.0 | 1.848313 | 0.515962 | 0.000403 | 0.003238 | 0.085192 | 0.282294 | 0.106672 | 0.005629 | 0.0 | 0.00061 | 0.0 | 0.431366 | 0.540133 | 0.028501 | 51 | 0.48 | 19 | 5.3 | 0.1 | 4.5 | 9 | 4.2 | 0.1 | 0.11 | 0.11 | 5 | 0.1 | 0.58185 | 0.076535 | 0.000966 | 0.050568 | 0.110016 | 0.127738 | 0.046452 | 0.000728 | 0.004119 | 0.000531 | 0.000496 | 0.494793 | 0.065084 | 0.000822 | 0.043002 | 0.093555 | 0.217252 | 0.079004 | 0.001238 | 0.003503 | 0.000904 | 0.000844 | 0.038702 | 0.602144 | 0.627093 | 1 | 1273.15 |
pt.calculate_fspar_liq_hygr(liq_comps=LiqT, plag_comps=PlagT, equationH="H_Put2005_eqH", T=1000+273.15, P=1)
H2O_calc | Pass An-Ab Eq Test Put2008? | Delta_An | Delta_Ab | Delta_Or | Pred_An_EqE | Pred_Ab_EqF | Pred_Or_EqG | Obs_Kd_Ab_An | SiO2_Plag | TiO2_Plag | Al2O3_Plag | FeOt_Plag | MnO_Plag | MgO_Plag | CaO_Plag | Na2O_Plag | K2O_Plag | Cr2O3_Plag | SiO2_Plag_cat_prop | MgO_Plag_cat_prop | FeOt_Plag_cat_prop | CaO_Plag_cat_prop | Al2O3_Plag_cat_prop | Na2O_Plag_cat_prop | K2O_Plag_cat_prop | MnO_Plag_cat_prop | TiO2_Plag_cat_prop | Cr2O3_Plag_cat_prop | sum | SiO2_Plag_cat_frac | MgO_Plag_cat_frac | FeOt_Plag_cat_frac | CaO_Plag_cat_frac | Al2O3_Plag_cat_frac | Na2O_Plag_cat_frac | K2O_Plag_cat_frac | MnO_Plag_cat_frac | TiO2_Plag_cat_frac | Cr2O3_Plag_cat_frac | An_Plag | Ab_Plag | Or_Plag | SiO2_Liq | TiO2_Liq | Al2O3_Liq | FeOt_Liq | MnO_Liq | MgO_Liq | CaO_Liq | Na2O_Liq | K2O_Liq | Cr2O3_Liq | P2O5_Liq | H2O_Liq | Fe3FeT_Liq | SiO2_Liq_mol_frac | MgO_Liq_mol_frac | MnO_Liq_mol_frac | FeOt_Liq_mol_frac | CaO_Liq_mol_frac | Al2O3_Liq_mol_frac | Na2O_Liq_mol_frac | K2O_Liq_mol_frac | TiO2_Liq_mol_frac | P2O5_Liq_mol_frac | Cr2O3_Liq_mol_frac | SiO2_Liq_cat_frac | MgO_Liq_cat_frac | MnO_Liq_cat_frac | FeOt_Liq_cat_frac | CaO_Liq_cat_frac | Al2O3_Liq_cat_frac | Na2O_Liq_cat_frac | K2O_Liq_cat_frac | TiO2_Liq_cat_frac | P2O5_Liq_cat_frac | Cr2O3_Liq_cat_frac | FeO_Liq_cat_frac | Mg_Number_Liq_NoFe3 | Mg_Number_Liq_Fe3 | P | T | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | 9.646943 | Low T: Yes | 0.333778 | 0.384882 | 0.027837 | 0.765144 | 0.155251 | 0.000665 | 0.65105 | 57.3 | 0.09 | 26.6 | 0.43 | 0 | 0.03 | 8.83 | 6.11 | 0.49 | 0.0 | 0.95366 | 0.000744 | 0.005985 | 0.157461 | 0.521768 | 0.197164 | 0.010404 | 0.0 | 0.001127 | 0.0 | 1.848313 | 0.515962 | 0.000403 | 0.003238 | 0.085192 | 0.282294 | 0.106672 | 0.005629 | 0.0 | 0.00061 | 0.0 | 0.431366 | 0.540133 | 0.028501 | 51 | 0.48 | 19 | 5.3 | 0.1 | 4.5 | 9 | 4.2 | 0.1 | 0.11 | 0.11 | 5 | 0.1 | 0.58185 | 0.076535 | 0.000966 | 0.050568 | 0.110016 | 0.127738 | 0.046452 | 0.000728 | 0.004119 | 0.000531 | 0.000496 | 0.494793 | 0.065084 | 0.000822 | 0.043002 | 0.093555 | 0.217252 | 0.079004 | 0.001238 | 0.003503 | 0.000904 | 0.000844 | 0.038702 | 0.602144 | 0.627093 | 1 | 1273.15 |
pt.calculate_fspar_liq_hygr(liq_comps=LiqT,
plag_comps=PlagT, equationH="H_Put2005_eqH", T=1000+273.15, P=1).Obs_Kd_Ab_An[0]
0.6510495841937365
pt.calculate_fspar_liq_hygr(liq_comps=LiqT,
plag_comps=PlagT, equationH="H_Put2005_eqH", T=1000+273.15).Obs_Kd_Ab_An[0]
--------------------------------------------------------------------------- TypeError Traceback (most recent call last) <ipython-input-15-35413d48cf16> in <module> ----> 1 pt.calculate_fspar_liq_hygr(liq_comps=LiqT, 2 plag_comps=PlagT, equationH="H_Put2005_eqH", T=1000+273.15).Obs_Kd_Ab_An[0] ~\OneDrive - Oregon State University\Postdoc\PyMME\MyBarometers\Thermobar_outer\Thermobar\feldspar.py in calculate_fspar_liq_hygr(liq_comps, plag_comps, kspar_comps, equationH, P, T, XAn, XAb, XOr) 717 if equationH == "H_Put2008_eq25b" or equationH == "H_Put2005_eqH": 718 if P is None: --> 719 raise TypeError('even if the equation doesnt require a P to be entered' 720 'because you have selected eq tests, you need to enter a P') 721 if plag_comps is not None: TypeError: even if the equation doesnt require a P to be enteredbecause you have selected eq tests, you need to enter a P