Refactored

brew/water_optimizer.m

@@ -22,20 +22,27 @@
 ## Author: Jens <jens@orion>
 ## Created: 2023-06-08
 
-function brewwater_optimizer (input1, input2)
+function brewwater_optimizer (TEST_SUITE, k_ve)
 
 # Load constants
 water_constants()
 
-k_ve = 0.25;
+# Profile from tap water
+k_Ca_0_mg   = 94.0;	% mg/l
+k_Mg_0_mg   = 18.1;	% mg/l
+k_Na_0_mg   =  3.6;	% mg/l
+k_S_0_mg    = 44.1;	% mg/l
+k_Cl_0_mg   =  4.6;	% mg/l
+k_HCO3_0_mmol =  5.5;	% mmol/l
 
-m_Ca_0   = 94.0;	% mg/l
-m_Mg_0   = 18.1;	% mg/l
-m_Na_0   =  3.6;	% mg/l
-m_S_0    = 44.1;	% mg/l
-m_Cl_0   =  4.6;	% mg/l
-k_HCO3_0 =  5.5;	% mmol/l
+# Target Profile
+k_Ca_1_mg = 50; % mg/l
+k_Mg_1_mg = 20; % mg/l
+k_Na_1_mg = 20; % mg/l
+k_Cl_1_mg = 100; % mg/l
+k_S_1_mg = 50; % mg/l
 
+# Create common used compounds
 M_CaSO4 = create_mol([i_Ca i_S i_O], [1 1 4], mol_masses)
 M_CaCl2 = create_mol([i_Ca i_Cl], [1 2], mol_masses)
 M_NaCl = create_mol([i_Na i_Cl], [1 1], mol_masses)
@@ -43,23 +50,56 @@ M_MgSO4  = create_mol([i_Mg i_S i_O], [1 1 4], mol_masses)
 M_NaHCO3 = create_mol([i_Na i_H i_C i_O], [1 1 1 3], mol_masses)
 M_H20 = create_mol([i_H i_O], [2 1], mol_masses)
 
+# Create single elements
+M_EL_Ca = create_mol([i_Ca], [1], mol_masses)
+M_EL_Mg  = create_mol([i_Mg], [1], mol_masses)
+M_EL_Na = create_mol([i_Na], [1], mol_masses)
+M_EL_Cl = create_mol([i_Cl], [1], mol_masses)
+M_EL_S = create_mol([i_S], [1], mol_masses)
+
+# Initial profile
+M_Ca_0_mmol = k_Ca_0_mg/M_Ca; % mmol/l
+M_Mg_0_mmol = k_Mg_0_mg/M_Mg; % mmol/l
+M_Na_0_mmol = k_Na_0_mg/M_Na; % mmol/l
+M_Cl_0_mmol = k_Cl_0_mg/M_Cl; % mmol/l
+M_S_0_mmol = k_S_0_mg/M_S; % mmol/l
+A = create_mol([i_Ca i_Mg i_Na i_Cl i_S], [M_Ca_0_mmol M_Mg_0_mmol M_Na_0_mmol M_Cl_0_mmol M_S_0_mmol], mol_masses)/5
+
+# Target profile
+M_Ca_1_mmol = k_Ca_1_mg/M_Ca; % mmol/l
+M_Mg_1_mmol = k_Mg_1_mg/M_Mg; % mmol/l
+M_Na_1_mmol = k_Na_1_mg/M_Na; % mmol/l
+M_Cl_1_mmol = k_Cl_1_mg/M_Cl; % mmol/l
+M_S_1_mmol = k_S_1_mg/M_S; % mmol/l
+T = create_mol([i_Ca i_Mg i_Na i_Cl i_S], [M_Ca_1_mmol M_Mg_1_mmol M_Na_1_mmol M_Cl_1_mmol M_S_1_mmol], mol_masses)
+
+if TEST_SUITE == 1,
+# Allowed substances, easy
+Pp = [M_EL_Ca; M_EL_Mg; M_EL_Na; M_EL_Cl; M_EL_S];
+learning_rate = 0.01
+end
+
+if TEST_SUITE == 2,
+# Allowed substances, difficult
+Pp = [M_CaSO4; M_CaCl2; M_MgSO4; M_NaCl];
+learning_rate = 0.001
+end
+
+# Init vecfit vars
+[N_subst, N_elem] = size(Pp);
+Pa = zeros(N_subst, 1);
+
 # ignore oxygen
 mask = create_mol([i_Ca i_Mg i_S i_Cl i_Na], [1 1 1 1 1], mol_masses) > 0
-
-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 = 0*T
-
-Pa = [0 0 0 0]';
-Pp = [M_CaSO4; M_CaCl2; M_MgSO4; M_NaCl];
+V = 50; % liter
 
 _dn = [];
 CONV_COUNTER_RELOAD = 20;
 Dn0 = 1;
 conv_counter = CONV_COUNTER_RELOAD;
 while true,
-  [A1, Pa, Dn1] = vecfit(Pp,mask,T,A,Pa, 0.001.*(1-exp(-Dn0)))
-  Dc = round_n(Dn1,3);
+  [A1, Pa, Dn1] = vecfit(Pp,mask,T,A,Pa, learning_rate.*(1-exp(-Dn0)))
+  Dc = round_n(Dn1,2);
   if Dn0 == Dc,
     if conv_counter == 0,
       break;