/* * This code is generated by BioUML FrameWork * for BIOMD0000000081.xml diagram at 2008.03.20 15:08:02 */ import biouml.plugins.simulation.ae.NewtonSolver; import biouml.plugins.simulation.java.JavaBaseModel; import ru.biosoft.math.MathRoutines; public class BIOMD0000000081 extends JavaBaseModel { /* * Write rules to calculate equation parameters */ private void __internalVarInitFunc_0(double time, double[] x) { MgSat20 = 1.0/(1.0 + 20.0*(1.0/_EX_M_Cytoplasm_Mg2_C_)); Gactive = x[10] + x[12] + x[6]; ATPSat300 = 1.0/(1.0 + 300.0*(1.0/(0.5 + x[0]))); I_KCNQ = 1.33*Math.pow((0.025*x[17]), nHill); _EX_M_Cytoplasm_GTP_C_ = 100.0 + (-(50.0*Math.exp(-(0.00833333333333333*(290.0 + time))))); ATPSat1000 = 1.0/(1.0 + 1000.0*(1.0/(0.5 + x[0]))); MgSat10 = 0.2 + 0.8*(1/(1 + KMgGTPase*(1/_EX_M_Cytoplasm_Mg2_C_))); OxoSat = 1/(1 + Koxom*(1/(1.0E-5 + _EX_oxoM_EX_))); fGactive = (x[10] + x[12] + x[6])/200; } /* * Write rules to calculate equation parameters excluding internal variables. */ public void __internalRateVarInitFunc_0(double time, double[] x) { rate_AlF4on = AlF4on_kAlF4on*x[1]*x[8] + (-(AlF4on_kAlF4off*x[7])); rate_GDPbSon = GDPbSon_kGDPbSon*x[14]*x[3] + (-(GDPbSon_kGGDPbSoff*(1.0 + 20.0*OxoSat)*x[9])); rate_GDPdissoc = GDPdissoc_kGDPoff*x[8]*(OxoSat + GDPdissoc_TonicAct) + (-(GDPdissoc_kGDPon*x[2]*x[14])); rate_GGTPase = GGTPase_kGGTPase*MgSat10*x[10]; rate_GTPgSon = GTPgSon_kGTPgSon*x[14]*x[4] + (-(GTPgSon_kGTPgSoff*x[13])); rate_GTPon = GTPon_kGTPon*x[14]*_EX_M_Cytoplasm_GTP_C_ + (-(GTPon_kGTPoff*x[11])); rate_IP3Phosphatase = x[5]*IP3Phosphatase_kIP3ase; rate_MgGTPon = MgGTPon_kMg2onGTP*x[11]*_EX_M_Cytoplasm_Mg2_C_; rate_MgonGDPAlF4 = MgonGDPAlF4_kMgonAlF4*x[7]*_EX_M_Cytoplasm_Mg2_C_; rate_MgonGGTPgS = MgonGGTPgS_kMg2onGTPgS*x[13]*_EX_M_Cytoplasm_Mg2_C_; rate_PI4Kinase = (0.2 + 0.8*MgSat20)*PI4Kinase_kPI4Kinase*x[19]*ATPSat1000; rate_PIP2_5Pase = MgSat20*PIP2_5Pase_kPIP2Pase*x[16]; rate_PIP2binding = PIP2binding_kPIP2on*x[15]*x[16] + (-(PIP2binding_kPIP2off*x[17])); rate_PIP5kinase = (0.2 + 0.8*MgSat20)*PIP5kinase_kPIP5Kinase*x[18]*ATPSat300; rate_PLC = PLC_kPLC*(fGactive + PLC_PLCspont)*x[16]; } public void Init() { initialValues = getInitialValues(); /* * Initialize variables */ _EX_M_Cytoplasm_Mg2_C_ = 2100.0; // initial value of $"EX.M.Cytoplasm.Mg2_C" AlF4on_kAlF4off = 0.0050; // initial value of AlF4on_kAlF4off AlF4on_kAlF4on = 7.0E-6; // initial value of AlF4on_kAlF4on GDPbSon_kGDPbSon = 0.28; // initial value of GDPbSon_kGDPbSon GDPbSon_kGGDPbSoff = 0.1; // initial value of GDPbSon_kGGDPbSoff GDPdissoc_TonicAct = 0.0020; // initial value of GDPdissoc_TonicAct GDPdissoc_kGDPoff = 0.5; // initial value of GDPdissoc_kGDPoff GDPdissoc_kGDPon = 0.0030; // initial value of GDPdissoc_kGDPon GGTPase_kGGTPase = 1.8; // initial value of GGTPase_kGGTPase GTPgSon_kGTPgSoff = 0.0050; // initial value of GTPgSon_kGTPgSoff GTPgSon_kGTPgSon = 0.0060; // initial value of GTPgSon_kGTPgSon GTPon_kGTPoff = 0.08; // initial value of GTPon_kGTPoff GTPon_kGTPon = 0.45; // initial value of GTPon_kGTPon IP3Phosphatase_kIP3ase = 0.3; // initial value of IP3Phosphatase_kIP3ase KMgGTPase = 10.0; // initial value of KMgGTPase Koxom = 8.0; // initial value of Koxom MgGTPon_kMg2onGTP = 0.0030; // initial value of MgGTPon_kMg2onGTP MgonGDPAlF4_kMgonAlF4 = 0.0020; // initial value of MgonGDPAlF4_kMgonAlF4 MgonGGTPgS_kMg2onGTPgS = 0.0020; // initial value of MgonGGTPgS_kMg2onGTPgS PI4Kinase_kPI4Kinase = 1.0E-4; // initial value of PI4Kinase_kPI4Kinase PIP2_5Pase_kPIP2Pase = 0.0050; // initial value of PIP2_5Pase_kPIP2Pase PIP2binding_kPIP2off = 0.25; // initial value of PIP2binding_kPIP2off PIP2binding_kPIP2on = 2.5E-4; // initial value of PIP2binding_kPIP2on PIP5kinase_kPIP5Kinase = 0.06; // initial value of PIP5kinase_kPIP5Kinase PLC_PLCspont = 7.5E-4; // initial value of PLC_PLCspont PLC_kPLC = 4.8; // initial value of PLC_kPLC nHill = 1.8; // initial value of nHill } /* * Model variables initial values */ protected double _EX_M_Cytoplasm_GTP_C_; protected double _EX_M_Cytoplasm_Mg2_C_; protected double _EX_oxoM_EX_; protected double rate_AlF4on; protected double rate_GDPbSon; protected double rate_GDPdissoc; protected double rate_GGTPase; protected double rate_GTPgSon; protected double rate_GTPon; protected double rate_IP3Phosphatase; protected double rate_MgGTPon; protected double rate_MgonGDPAlF4; protected double rate_MgonGGTPgS; protected double rate_PI4Kinase; protected double rate_PIP2_5Pase; protected double rate_PIP2binding; protected double rate_PIP5kinase; protected double rate_PLC; protected double ATPSat1000; protected double ATPSat300; protected double AlF4on_kAlF4off; protected double AlF4on_kAlF4on; protected double GDPbSon_kGDPbSon; protected double GDPbSon_kGGDPbSoff; protected double GDPdissoc_TonicAct; protected double GDPdissoc_kGDPoff; protected double GDPdissoc_kGDPon; protected double GGTPase_kGGTPase; protected double GTPgSon_kGTPgSoff; protected double GTPgSon_kGTPgSon; protected double GTPon_kGTPoff; protected double GTPon_kGTPon; protected double Gactive; protected double IP3Phosphatase_kIP3ase; protected double I_KCNQ; protected double KMgGTPase; protected double Koxom; protected double MgGTPon_kMg2onGTP; protected double MgSat10; protected double MgSat20; protected double MgonGDPAlF4_kMgonAlF4; protected double MgonGGTPgS_kMg2onGTPgS; protected double OxoSat; protected double PI4Kinase_kPI4Kinase; protected double PIP2_5Pase_kPIP2Pase; protected double PIP2binding_kPIP2off; protected double PIP2binding_kPIP2on; protected double PIP5kinase_kPIP5Kinase; protected double PLC_PLCspont; protected double PLC_kPLC; protected double fGactive; protected double nHill; protected double time; public double[] extendResult(double time,double [] x) { this.time = time; __internalVarInitFunc_0(time, x); double[] y = new double[30]; y[0] = x[0]; y[1] = x[1]; y[2] = x[2]; y[3] = x[3]; y[4] = _EX_M_Cytoplasm_GTP_C_; y[5] = x[4]; y[6] = x[5]; y[7] = x[6]; y[8] = x[7]; y[9] = x[8]; y[10] = x[9]; y[11] = x[10]; y[12] = x[11]; y[13] = x[12]; y[14] = x[13]; y[15] = x[14]; y[16] = x[15]; y[17] = x[16]; y[18] = x[17]; y[19] = x[18]; y[20] = x[19]; y[21] = _EX_oxoM_EX_; y[22] = ATPSat1000; y[23] = ATPSat300; y[24] = Gactive; y[25] = I_KCNQ; y[26] = MgSat10; y[27] = MgSat20; y[28] = OxoSat; y[29] = fGactive; return y; } public double[] getInitialValues() { double [] x = new double[20]; this.time = 0.0; x[0] = 3000.0; // - $"EX.M.Cytoplasm.ATP_C" x[1] = 0.0; // - $"EX.M.Cytoplasm.AlF4_C" x[2] = 0.0; // - $"EX.M.Cytoplasm.GDP_C" x[3] = 0.0; // - $"EX.M.Cytoplasm.GDPbS_C" x[4] = 0.0; // - $"EX.M.Cytoplasm.GTPgS_C" x[5] = 0.48; // - $"EX.M.Cytoplasm.ip3_C" x[6] = 0.0; // - $"EX.M.GGDPAlF4Mg_M" x[7] = 0.0; // - $"EX.M.GGDPAlF4_M" x[8] = 200.0; // - $"EX.M.GGDP_M" x[9] = 0.0; // - $"EX.M.GGDPbS_M" x[10] = 0.1; // - $"EX.M.GGTPMg_M" x[11] = 0.048; // - $"EX.M.GGTP_M" x[12] = 0.0; // - $"EX.M.GGTPgSMg_M" x[13] = 0.0; // - $"EX.M.GGTPgS_M" x[14] = 0.065; // - $"EX.M.G_M" x[15] = 6.7; // - $"EX.M.KCNQsites_M" x[16] = 5000.0; // - $"EX.M.PIP2_M" x[17] = 33.3; // - $"EX.M.PIP2xKCNQ_M" x[18] = 1150.0; // - $"EX.M.PIP_M" x[19] = 200000.0; // - $"EX.M.PI_M" __internalVarInitFunc_0(time, x); __internalRateVarInitFunc_0(time, x); return x; } /* * code for algebraic rules calculations */ /* * end of code for algebraic rules calculations */ protected void calculateRates(double time, double[] x) { __internalVarInitFunc_0(time, x); __internalRateVarInitFunc_0(time, x); } /* * calculate dy/dt for 'BIOMD0000000081.xml' model */ public void __internalDyDt_0(double time, double [] x, double[] result) { result[0] = -rate_PI4Kinase*9.967E-4-rate_PIP5kinase*9.967E-4; result[1] = -rate_AlF4on*9.967E-4; result[2] = +rate_GDPdissoc*9.967E-4; result[3] = -rate_GDPbSon*9.967E-4; result[4] = -rate_GTPgSon*9.967E-4; result[5] = -rate_IP3Phosphatase+rate_PLC*9.967E-4; result[6] = +rate_MgonGDPAlF4; result[7] = +rate_AlF4on-rate_MgonGDPAlF4; result[8] = -rate_AlF4on-rate_GDPdissoc+rate_GGTPase; result[9] = +rate_GDPbSon; result[10] = -rate_GGTPase+rate_MgGTPon; result[11] = +rate_GTPon-rate_MgGTPon; result[12] = +rate_MgonGGTPgS; result[13] = +rate_GTPgSon-rate_MgonGGTPgS; result[14] = -rate_GDPbSon+rate_GDPdissoc-rate_GTPgSon-rate_GTPon; result[15] = -rate_PIP2binding; result[16] = -rate_PIP2_5Pase-rate_PIP2binding+rate_PIP5kinase-rate_PLC; result[17] = +rate_PIP2binding; result[18] = +rate_PI4Kinase+rate_PIP2_5Pase-rate_PIP5kinase; result[19] = -rate_PI4Kinase; } protected double [] calculateResult(double time, double[] x) { double[] result = new double[20]; __internalDyDt_0(time, x, result); return result; } public double[] dy_dt(double time, double[] x) { this.time = time; calculateRates( time,x ); return calculateResult( time,x ); } public double[] checkEvent(double time, double[] x) { this.time = time; __internalVarInitFunc_0(time, x); __internalRateVarInitFunc_0(time, x); double [] flags = new double[2]; flags[0] = (time >= 3.0) ? +1 : -1; //event_0000001 flags[1] = (time >= 8.0) ? +1 : -1; //event_0000002 return flags; } public void processEvent(int __internalVar12060040825150, double time, double[] x) { this.time = time; if ( __internalVar12060040825150 == 0) //event_0000001 { _EX_oxoM_EX_ = 10; } else if ( __internalVar12060040825150 == 1) //event_0000002 { _EX_oxoM_EX_ = 0; } } } // class ...