- added mask

brew/water_optimizer.m

@@ -45,7 +45,7 @@ M_H20 = create_mol([i_H i_O], [2 1], mol_masses)
 
 m_CaSO4 = sum(M_CaSO4)
 
-mask = create_mol([i_Ca i_Mg i_S i_Cl i_Na], [1 1 1 1 1], ones(1, length(mol_masses)))
+mask = create_mol([i_Ca i_Mg i_S i_Cl i_Na], [1 1 1 1 1], mol_masses) > 0
 
 m_empty = create_mol([], [], mol_masses)
 
@@ -54,21 +54,18 @@ molare_masse_H2O = sum(M_H20)
 
 T = create_mol([i_Ca i_Mg i_Na i_S i_Cl], [0.05 0.01 0.02 0.05 0.10], mol_masses)
 A = create_mol([i_Ca i_Mg i_Na i_S i_Cl], [0.094 0.018 0.004 0.044 0.005], mol_masses)
-A = 4*T
+A = 0*T
 
-M_ve = create_mol([i_Ca i_Mg i_Na i_S i_Cl], [1 1 1 1 1]/1000, mol_masses)
 Pa = [0 0 0 0]';
-Pp = [M_CaSO4; M_CaCl2; M_MgSO4; -M_ve];
-
-Pa = [0]';
-Pp = [-M_ve]
+Pp = [M_CaSO4; M_CaCl2; M_MgSO4; M_NaCl];
 
 Dn = 1;
-while Dn > 0.05,
-  T = T
-  [A1, Pa, Dn] = vecfit(T,A,Pa,Pp, 0.1*Dn)
+while Dn > 0.5,
+  [A1, Pa, Dn] = vecfit(Pp,mask,T,A,Pa, 0.0001.*(1-exp(-Dn)))
 end
-
+T=T
+A1=A1
+Pa=Pa
 endfunction