/* There are a total of 13 entries in the algebraic variable array. There are a total of 9 entries in each of the rate and state variable arrays. There are a total of 16 entries in the constant variable array. */ /* * VOI is time in component environment (second). * STATES[0] is q_S_i in component environment (fmol). * STATES[1] is q_S_o in component environment (fmol). * STATES[2] is q_E_ADP in component environment (fmol). * STATES[3] is q_E_ATP in component environment (fmol). * STATES[4] is q_ATP in component environment (fmol). * STATES[5] is q_ADP in component environment (fmol). * STATES[6] is q_Pi in component environment (fmol). * STATES[7] is q_S_E_ATP in component environment (fmol). * STATES[8] is q_S_E_ADP in component environment (fmol). * ALGEBRAIC[9] is v_ReABind in component ABC (fmol_per_sec). * ALGEBRAIC[10] is v_ReSBind in component ABC (fmol_per_sec). * ALGEBRAIC[11] is v_ReHyd in component ABC (fmol_per_sec). * ALGEBRAIC[12] is v_ReRel in component ABC (fmol_per_sec). * CONSTANTS[0] is kappa_ReABind in component ABC_parameters (fmol_per_sec). * CONSTANTS[1] is kappa_ReSBind in component ABC_parameters (fmol_per_sec). * CONSTANTS[2] is kappa_ReHyd in component ABC_parameters (fmol_per_sec). * CONSTANTS[3] is kappa_ReRel in component ABC_parameters (fmol_per_sec). * CONSTANTS[4] is K_S_i in component ABC_parameters (per_fmol). * CONSTANTS[5] is K_S_o in component ABC_parameters (per_fmol). * CONSTANTS[6] is K_E_ADP in component ABC_parameters (per_fmol). * CONSTANTS[7] is K_E_ATP in component ABC_parameters (per_fmol). * CONSTANTS[8] is K_ATP in component ABC_parameters (per_fmol). * CONSTANTS[9] is K_ADP in component ABC_parameters (per_fmol). * CONSTANTS[10] is K_Pi in component ABC_parameters (per_fmol). * CONSTANTS[11] is K_S_E_ATP in component ABC_parameters (per_fmol). * CONSTANTS[12] is K_S_E_ADP in component ABC_parameters (per_fmol). * CONSTANTS[13] is R in component constants (J_per_K_per_mol). * CONSTANTS[14] is T in component constants (kelvin). * ALGEBRAIC[0] is mu_S_i in component ABC (J_per_mol). * ALGEBRAIC[1] is mu_S_o in component ABC (J_per_mol). * ALGEBRAIC[2] is mu_E_ADP in component ABC (J_per_mol). * ALGEBRAIC[3] is mu_E_ATP in component ABC (J_per_mol). * ALGEBRAIC[4] is mu_ATP in component ABC (J_per_mol). * ALGEBRAIC[5] is mu_ADP in component ABC (J_per_mol). * ALGEBRAIC[6] is mu_Pi in component ABC (J_per_mol). * ALGEBRAIC[7] is mu_S_E_ATP in component ABC (J_per_mol). * ALGEBRAIC[8] is mu_S_E_ADP in component ABC (J_per_mol). * CONSTANTS[15] is F in component constants (C_per_mol). * RATES[0] is d/dt q_S_i in component environment (fmol). * RATES[1] is d/dt q_S_o in component environment (fmol). * RATES[2] is d/dt q_E_ADP in component environment (fmol). * RATES[3] is d/dt q_E_ATP in component environment (fmol). * RATES[4] is d/dt q_ATP in component environment (fmol). * RATES[5] is d/dt q_ADP in component environment (fmol). * RATES[6] is d/dt q_Pi in component environment (fmol). * RATES[7] is d/dt q_S_E_ATP in component environment (fmol). * RATES[8] is d/dt q_S_E_ADP in component environment (fmol). */ void initConsts(double* CONSTANTS, double* RATES, double *STATES) { STATES[0] = 1e-6; STATES[1] = 1e-3; STATES[2] = 1e-6; STATES[3] = 1e-6; STATES[4] = 1e-4; STATES[5] = 1e-6; STATES[6] = 1e-6; STATES[7] = 1e-6; STATES[8] = 1e-6; CONSTANTS[0] = 0.509703; CONSTANTS[1] = 1.85478e-07; CONSTANTS[2] = 185478; CONSTANTS[3] = 48186.7; CONSTANTS[4] = 1.58747e-11; CONSTANTS[5] = 6.46339e+08; CONSTANTS[6] = 0.000905319; CONSTANTS[7] = 5.7767; CONSTANTS[8] = 1.50077e+06; CONSTANTS[9] = 2.35199e-10; CONSTANTS[10] = 6.83676e-15; CONSTANTS[11] = 0.141881; CONSTANTS[12] = 0.546122; CONSTANTS[13] = 8.31; CONSTANTS[14] = 310; CONSTANTS[15] = 96485; } void computeRates(double VOI, double* CONSTANTS, double* RATES, double* STATES, double* ALGEBRAIC) { ALGEBRAIC[2] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[6]*STATES[2]); ALGEBRAIC[3] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[7]*STATES[3]); ALGEBRAIC[4] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[8]*STATES[4]); ALGEBRAIC[5] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[9]*STATES[5]); ALGEBRAIC[9] = CONSTANTS[0]*(exp((ALGEBRAIC[2]+ALGEBRAIC[4])/( CONSTANTS[13]*CONSTANTS[14])) - exp((ALGEBRAIC[3]+ALGEBRAIC[5])/( CONSTANTS[13]*CONSTANTS[14]))); RATES[4] = - ALGEBRAIC[9]; RATES[5] = ALGEBRAIC[9]; ALGEBRAIC[1] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[5]*STATES[1]); ALGEBRAIC[7] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[11]*STATES[7]); ALGEBRAIC[10] = CONSTANTS[1]*(exp((ALGEBRAIC[1]+ALGEBRAIC[3])/( CONSTANTS[13]*CONSTANTS[14])) - exp(ALGEBRAIC[7]/( CONSTANTS[13]*CONSTANTS[14]))); RATES[1] = - ALGEBRAIC[10]; RATES[3] = ALGEBRAIC[9] - ALGEBRAIC[10]; ALGEBRAIC[6] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[10]*STATES[6]); ALGEBRAIC[8] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[12]*STATES[8]); ALGEBRAIC[11] = CONSTANTS[2]*(exp(ALGEBRAIC[7]/( CONSTANTS[13]*CONSTANTS[14])) - exp((ALGEBRAIC[8]+ALGEBRAIC[6])/( CONSTANTS[13]*CONSTANTS[14]))); RATES[0] = ALGEBRAIC[11]; RATES[6] = ALGEBRAIC[11]; RATES[7] = ALGEBRAIC[10] - ALGEBRAIC[11]; ALGEBRAIC[0] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[4]*STATES[0]); ALGEBRAIC[12] = CONSTANTS[3]*(exp(ALGEBRAIC[8]/( CONSTANTS[13]*CONSTANTS[14])) - exp((ALGEBRAIC[0]+ALGEBRAIC[2])/( CONSTANTS[13]*CONSTANTS[14]))); RATES[2] = - ALGEBRAIC[10]+ALGEBRAIC[12]; RATES[8] = ALGEBRAIC[11] - ALGEBRAIC[12]; } void computeVariables(double VOI, double* CONSTANTS, double* RATES, double* STATES, double* ALGEBRAIC) { ALGEBRAIC[2] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[6]*STATES[2]); ALGEBRAIC[3] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[7]*STATES[3]); ALGEBRAIC[4] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[8]*STATES[4]); ALGEBRAIC[5] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[9]*STATES[5]); ALGEBRAIC[9] = CONSTANTS[0]*(exp((ALGEBRAIC[2]+ALGEBRAIC[4])/( CONSTANTS[13]*CONSTANTS[14])) - exp((ALGEBRAIC[3]+ALGEBRAIC[5])/( CONSTANTS[13]*CONSTANTS[14]))); ALGEBRAIC[1] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[5]*STATES[1]); ALGEBRAIC[7] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[11]*STATES[7]); ALGEBRAIC[10] = CONSTANTS[1]*(exp((ALGEBRAIC[1]+ALGEBRAIC[3])/( CONSTANTS[13]*CONSTANTS[14])) - exp(ALGEBRAIC[7]/( CONSTANTS[13]*CONSTANTS[14]))); ALGEBRAIC[6] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[10]*STATES[6]); ALGEBRAIC[8] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[12]*STATES[8]); ALGEBRAIC[11] = CONSTANTS[2]*(exp(ALGEBRAIC[7]/( CONSTANTS[13]*CONSTANTS[14])) - exp((ALGEBRAIC[8]+ALGEBRAIC[6])/( CONSTANTS[13]*CONSTANTS[14]))); ALGEBRAIC[0] = CONSTANTS[13]*CONSTANTS[14]*log( CONSTANTS[4]*STATES[0]); ALGEBRAIC[12] = CONSTANTS[3]*(exp(ALGEBRAIC[8]/( CONSTANTS[13]*CONSTANTS[14])) - exp((ALGEBRAIC[0]+ALGEBRAIC[2])/( CONSTANTS[13]*CONSTANTS[14]))); }