- cleaned up

- refactored
- valid values except sulfat

brew/water_constants.m

@@ -7,7 +7,7 @@ i_Ca = 6;
 i_Mg = 7;
 i_S = 8;
 i_P = 9;
-i_SIZE = 9;
+N_mol = 9;
 
 M_H  =  1.00794; % g/mol
 M_C  = 12.0107;  % g/mol
@@ -19,7 +19,7 @@ M_Mg = 24.305;   % g/mol
 M_S  = 32.06;    % g/mol
 M_P  = 30.9738;  % g/mol
 
-mol_masses = zeros(1, i_SIZE);
+mol_masses = zeros(1, N_mol);
 mol_masses(i_H) = M_H;
 mol_masses(i_C) = M_C;
 mol_masses(i_O) = M_O;
@@ -30,3 +30,31 @@ mol_masses(i_Mg) = M_Mg;
 mol_masses(i_S) = M_S;
 mol_masses(i_P) = M_P;
 
+# Create single elements [g/mol]
+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);
+
+# Create common used compounds [g/mol]
+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);
+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_HCl = create_mol([i_H i_Cl], [1 1], mol_masses);
+M_H2SO4 = create_mol([i_H i_S i_O], [2 1 4], mol_masses);
+M_H2O = create_mol([i_H i_O], [2 1], mol_masses);
+
+function mol = create_mol(indices, n, mol_masses)
+  N = length(mol_masses);
+  mol = zeros(1, N);
+  mol(indices) = n.*mol_masses(indices);
+endfunction
+
+function mol = create_vec(indices, quantity, N)
+  mol = zeros(1, N);
+  mol(indices) = quantity;
+endfunction
+

brew/water_optimizer.m

@@ -27,7 +27,7 @@ function water_optimizer (TEST_SUITE, k_ve, learning_rate)
 # Load constants
 water_constants()
 
-# Profile from tap water
+# Profile from tap water (Bad Toelz)
 k_Ca_0_mg   = 94.0;	% mg/l
 k_Mg_0_mg   = 18.1;	% mg/l
 k_Na_0_mg   =  3.6;	% mg/l
@@ -35,68 +35,64 @@ k_S_0_mg    = 44.1;	% mg/l
 k_Cl_0_mg   =  4.6;	% mg/l
 k_HCO3_0_mmol =  5.5;	% mmol/l
 
+# Profile from tap water (Debug)
+k_Ca_0_mg = 100; % mg/l
+k_Mg_0_mg = 20; % mg/l
+k_Na_0_mg = 5; % mg/l
+k_S_0_mg = 50; % mg/l
+k_Cl_0_mg = 5; % mg/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_Na_1_mg = 40; % 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)
-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_HCl = create_mol([i_H i_Cl], [1 1], mol_masses)
+# Tap water: Calc Stoffmenge/l [mmol/l]
+n_Ca_0 = k_Ca_0_mg/sum(M_EL_Ca);
+n_Mg_0 = k_Mg_0_mg/sum(M_EL_Mg);
+n_Na_0 = k_Na_0_mg/sum(M_EL_Na);
+n_Cl_0 = k_Cl_0_mg/sum(M_EL_Cl);
+n_S_0 = k_S_0_mg/sum(M_EL_S);
 
-# 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)
+# Target: Calc Stoffmenge/l [mmol/l]
+n_Ca_1 = k_Ca_1_mg/sum(M_EL_Ca);
+n_Mg_1 = k_Mg_1_mg/sum(M_EL_Mg);
+n_Na_1 = k_Na_1_mg/sum(M_EL_Na);
+n_Cl_1 = k_Cl_1_mg/sum(M_EL_Cl);
+n_S_1 = k_S_1_mg/sum(M_EL_S);
 
 # 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
-A0 = k_ve*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)
+m_A0 = k_ve*create_mol([i_Ca i_Mg i_Na i_Cl i_S], [n_Ca_0 n_Mg_0 n_Na_0 n_Cl_0 n_S_0], mol_masses)
 
 # 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)
+m_T = create_mol([i_Ca i_Mg i_Na i_Cl i_S], [n_Ca_1 n_Mg_1 n_Na_1 n_Cl_1 n_S_1], 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];
+# Create molar masses of allowed substances, easy
+Mp = [M_EL_Ca; M_EL_Mg; M_EL_Na; M_EL_Cl; M_EL_S];
 end
 
 if TEST_SUITE == 2,
-# Allowed substances, difficult
-Pp = [M_CaSO4; M_CaCl2; M_MgSO4; M_NaCl; M_HCl];
+# Create molar masses of allowed substances, difficult
+Mp = [M_CaSO4+2*M_H2O; M_CaCl2+2*M_H2O; M_MgSO4+7*M_H2O; M_NaCl; M_HCl]
 end
 
 # Init vecfit vars
-[N_subst, N_elem] = size(Pp);
-Pa = zeros(N_subst, 1);
+[N_subst, N_elem] = size(Mp);
+# create stoff mengen 'n' [mol]
+na = 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;
-V = 50; % liter
 
 _dn = [];
 CONV_COUNTER_RELOAD = 20;
 Dn0 = 1;
 conv_counter = CONV_COUNTER_RELOAD;
 while true,
-  [A1, Pa, Dn1] = vecfit(Pp,mask,T,A0,Pa, learning_rate.*(1-exp(-Dn0)));
+  [m_A1, na, Dn1] = vecfit(Mp, mask, m_T, m_A0, na, learning_rate.*(1-exp(-Dn0)));
   Dc = round_n(Dn1,2);
   if Dn0 == Dc,
     if conv_counter == 0,
@@ -112,9 +108,10 @@ while true,
 end
 plot(1:length(_dn), _dn); grid();
 title("Distance"); xlabel("Iteration"); ylabel("Dn")
-A1=A1
-Dn1 = Dn1
-Pa=Pa
+m_A1
+Dn1
+m_elem=sum(Mp.*na)
+m_subst_add_g_per_hl = na.*sum(Mp,2)/1000*100
 
 endfunction