diff --git a/include/cantera/zeroD/Reactor.h b/include/cantera/zeroD/Reactor.h index 6314a4914..01c2c0649 100644 --- a/include/cantera/zeroD/Reactor.h +++ b/include/cantera/zeroD/Reactor.h @@ -135,11 +135,7 @@ protected: Kinetics* m_kin; //! Tolerance on the temperature - doublereal m_temp_atol; - doublereal m_maxstep; // max step size doublereal m_vdot, m_Q; - vector_fp m_atol; - doublereal m_rtol; vector_fp m_work; vector_fp m_sdot; // surface production rates bool m_chem; diff --git a/include/cantera/zeroD/ReactorBase.h b/include/cantera/zeroD/ReactorBase.h index f5e78e27a..af8ba8cdf 100644 --- a/include/cantera/zeroD/ReactorBase.h +++ b/include/cantera/zeroD/ReactorBase.h @@ -58,16 +58,6 @@ public: m_vol0 = vol; } - /** - * Set initial time. Default = 0.0 s. Restarts integration - * from this time using the current mixture state as the - * initial condition. - */ - void setInitialTime(doublereal time) { - m_time = time; - m_init = false; - } - /** * Specify the mixture contained in the reactor. Note that * a pointer to this substance is stored, and as the integration @@ -102,19 +92,6 @@ public: tilt(); } - /** - * Advance the state of the reactor in time. - * @param time Time to advance to (s). - * Note that this method - * changes the state of the mixture object. - */ - virtual void advance(doublereal time) { - tilt(); - } - virtual double step(doublereal time) { - tilt(); - return 0.0; - } virtual void start() {} //@} @@ -139,7 +116,6 @@ public: doublereal residenceTime(); - /** * @name Solution components. * The values returned are those after the last call to advance @@ -147,12 +123,6 @@ public: */ //@{ - /// the current time (s). - doublereal time() const { - return m_time; - } - - //! Returns the current volume of the reactor /*! * @return Return the volume in m**3 @@ -198,7 +168,6 @@ protected: size_t m_nsp; thermo_t* m_thermo; - doublereal m_time; doublereal m_vol, m_vol0; bool m_init; size_t m_nInlets, m_nOutlets; diff --git a/include/cantera/zeroD/Reservoir.h b/include/cantera/zeroD/Reservoir.h index e0e41e6fd..60f67aef5 100644 --- a/include/cantera/zeroD/Reservoir.h +++ b/include/cantera/zeroD/Reservoir.h @@ -23,9 +23,6 @@ public: return ReservoirType; } virtual void initialize(doublereal t0 = 0.0) {} - virtual void advance(doublereal time) { - m_time = time; - } void insert(Cantera::ThermoPhase& contents) { setThermoMgr(contents); diff --git a/interfaces/matlab/toolbox/@Reactor/advance.m b/interfaces/matlab/toolbox/@Reactor/advance.m deleted file mode 100644 index 93f925ab3..000000000 --- a/interfaces/matlab/toolbox/@Reactor/advance.m +++ /dev/null @@ -1,22 +0,0 @@ -function advance(r, tout) -% ADVANCE - Advance the state of the reactor in time. -% -% Method advance integrates the system of ordinary differential -% equations that determine the rate of change of the reactor -% volume, the mass of each species, and the total energy. The -% integration is carried out from the current reactor time to time -% 'tout.' (Note 'tout' is an absolute time, not a time interval.) The -% integrator may take many internal time steps before reaching -% tout. -% -% for i in 1:10 -% tout = 0.1*i -% advance(r, tout) -% ... -% -% ... -% end -% -% See also: Reactor/step -% -reactormethods(8, reactor_hndl(r), tout); diff --git a/interfaces/matlab/toolbox/@Reactor/setInitialTime.m b/interfaces/matlab/toolbox/@Reactor/setInitialTime.m deleted file mode 100644 index 1a83b7906..000000000 --- a/interfaces/matlab/toolbox/@Reactor/setInitialTime.m +++ /dev/null @@ -1,4 +0,0 @@ -function setInitialTime(r, t0) -% SETINITIALTIME - set the initial time. Deprecated. -% -reactormethods(5, reactor_hndl(r), t0); diff --git a/interfaces/matlab/toolbox/@Reactor/step.m b/interfaces/matlab/toolbox/@Reactor/step.m deleted file mode 100644 index d4e4a410d..000000000 --- a/interfaces/matlab/toolbox/@Reactor/step.m +++ /dev/null @@ -1,27 +0,0 @@ -function t = step(r, tout) -% STEP - Take one internal time step toward tout. -% -% The integrator used to integrate the ODEs (CVODE) takes -% variable-size steps, chosen so that a specified error -% tolerance is maintained. At times when the solution is rapidly -% changing, the time step becomes smaller to resolve the -% solution. -% -% Method 'step' takes one internal time step and returns. This -% can be useful when it is desired to resolve a rapidly-changing -% solution in the output file. -% -% This method can be used as follows: -% -% t = 0.0 -% tout = 0.1 -% while t < tout -% t = step(r, tout) -% ,,, -% -% ... -% end -% -% See also: Reactor/advance -% -t = reactormethods(21, reactor_hndl(r), tout); diff --git a/interfaces/matlab/toolbox/@Reactor/time.m b/interfaces/matlab/toolbox/@Reactor/time.m deleted file mode 100644 index 7db5f4595..000000000 --- a/interfaces/matlab/toolbox/@Reactor/time.m +++ /dev/null @@ -1,4 +0,0 @@ -function t = time(r) -% TIME - time -% -t = reactormethods(22, reactor_hndl(r)); diff --git a/interfaces/python/Cantera/Reactor.py b/interfaces/python/Cantera/Reactor.py index acda04e93..f7ad3f7ac 100644 --- a/interfaces/python/Cantera/Reactor.py +++ b/interfaces/python/Cantera/Reactor.py @@ -94,14 +94,6 @@ class ReactorBase: _cantera.reactor_setThermoMgr(self.__reactor_id, contents._phase_id) _cantera.reactor_setKineticsMgr(self.__reactor_id, contents.ckin) - - def setInitialTime(self, T0): - """Deprecated. - Set the initial time. Restarts integration from this time - using the current state as the initial condition. Default: 0.0 s""" - raise "use method setInitialTime of class ReactorNet" - #_cantera.reactor_setInitialTime(self.__reactor_id, T0) - def _setInitialVolume(self, V0): """Set the initial reactor volume. """ _cantera.reactor_setInitialVolume(self.__reactor_id, V0) @@ -134,11 +126,6 @@ class ReactorBase: if non-rigid walls are installed on the reactor.""" return _cantera.reactor_volume(self.__reactor_id) - def time(self): - """Deprecated. The current time [s].""" - raise "use method time of class ReactorNet" - #return _cantera.reactor_time(self.__reactor_id) - def mass(self): """The total mass of fluid in the reactor [kg].""" return _cantera.reactor_mass(self.__reactor_id) @@ -155,22 +142,6 @@ class ReactorBase: """The pressure in the reactor [Pa].""" return _cantera.reactor_pressure(self.__reactor_id) - def advance(self, time): - """Deprecated. - Advance the state of the reactor in time from the current - time to time *time*. Note: this method is deprecated. See - :class:`.ReactorNet`.""" - raise "use method advance of class ReactorNet" - #return _cantera.reactor_advance(self.__reactor_id, time) - - def step(self, time): - """Deprecated. - Take one internal time step from the current time toward - time *time*. Note: this method is deprecated. See class - :class:`.ReactorNet`.""" - raise "use method step of class ReactorNet" - #return _cantera.reactor_step(self.__reactor_id, time) - def massFraction(self, s): """The mass fraction of species *s*, specified either by name or index number. diff --git a/src/clib/ctreactor.cpp b/src/clib/ctreactor.cpp index f3b727706..7b9689184 100644 --- a/src/clib/ctreactor.cpp +++ b/src/clib/ctreactor.cpp @@ -93,16 +93,6 @@ extern "C" { } } - int reactor_setInitialTime(int i, double t) - { - try { - ReactorCabinet::item(i).setInitialTime(t); - return 0; - } catch (...) { - return handleAllExceptions(-1, ERR); - } - } - int reactor_setThermoMgr(int i, int n) { try { @@ -126,34 +116,6 @@ extern "C" { } } - int reactor_advance(int i, double t) - { - try { - ReactorCabinet::item(i).advance(t); - return 0; - } catch (...) { - return handleAllExceptions(-1, ERR); - } - } - - double reactor_step(int i, double t) - { - try { - return ReactorCabinet::item(i).step(t); - } catch (...) { - return handleAllExceptions(DERR, DERR); - } - } - - double reactor_time(int i) - { - try { - return ReactorCabinet::item(i).time(); - } catch (...) { - return handleAllExceptions(DERR, DERR); - } - } - double reactor_mass(int i) { try { diff --git a/src/clib/ctreactor.h b/src/clib/ctreactor.h index 10e9d1ebe..610bd04fa 100644 --- a/src/clib/ctreactor.h +++ b/src/clib/ctreactor.h @@ -12,13 +12,9 @@ extern "C" { CANTERA_CAPI int reactor_copy(int i); CANTERA_CAPI int reactor_assign(int i, int j); CANTERA_CAPI int reactor_setInitialVolume(int i, double v); - CANTERA_CAPI int reactor_setInitialTime(int i, double t); CANTERA_CAPI int reactor_setEnergy(int i, int eflag); CANTERA_CAPI int reactor_setThermoMgr(int i, int n); CANTERA_CAPI int reactor_setKineticsMgr(int i, int n); - CANTERA_CAPI int reactor_advance(int i, double t); - CANTERA_CAPI double reactor_step(int i, double t); - CANTERA_CAPI double reactor_time(int i); CANTERA_CAPI double reactor_mass(int i); CANTERA_CAPI double reactor_volume(int i); CANTERA_CAPI double reactor_density(int i); diff --git a/src/matlab/reactormethods.cpp b/src/matlab/reactormethods.cpp index d4335e1e3..55496f215 100644 --- a/src/matlab/reactormethods.cpp +++ b/src/matlab/reactormethods.cpp @@ -48,18 +48,12 @@ void reactormethods(int nlhs, mxArray* plhs[], case 4: iok = reactor_setInitialVolume(i, v); break; - case 5: - iok = reactor_setInitialTime(i, v); - break; case 6: iok = reactor_setThermoMgr(i, int(v)); break; case 7: iok = reactor_setKineticsMgr(i, int(v)); break; - case 8: - iok = reactor_advance(i, v); - break; case 9: iok = reactor_setEnergy(i, int(v)); break; @@ -80,12 +74,6 @@ void reactormethods(int nlhs, mxArray* plhs[], else if (job < 40) { switch (job) { - case 21: - r = reactor_step(i, v); - break; - case 22: - r = reactor_time(i); - break; case 23: r = reactor_mass(i); break; diff --git a/src/python/ctreactor_methods.cpp b/src/python/ctreactor_methods.cpp index d4a27b2d4..9a25566fc 100644 --- a/src/python/ctreactor_methods.cpp +++ b/src/python/ctreactor_methods.cpp @@ -39,18 +39,6 @@ py_reactor_setInitialVolume(PyObject* self, PyObject* args) return Py_BuildValue("i",0); } -// static PyObject* -// py_reactor_setInitialTime(PyObject *self, PyObject *args) -// { -// int n; -// double t; -// if (!PyArg_ParseTuple(args, "id:reactor_setInitialTime", &n, &t)) -// return NULL; -// int iok = reactor_setInitialTime(n, t); -// if (iok < 0) return reportError(iok); -// return Py_BuildValue("i",0); -// } - static PyObject* py_reactor_setEnergy(PyObject* self, PyObject* args) { @@ -143,39 +131,6 @@ py_flowReactor_setMassFlowRate(PyObject* self, PyObject* args) return Py_BuildValue("i",_val); } - -// static PyObject* -// py_reactor_advance(PyObject *self, PyObject *args) -// { -// int n; -// double t; -// if (!PyArg_ParseTuple(args, "id:reactor_advance", &n, &t)) -// return NULL; -// int iok = reactor_advance(n, t); -// if (iok < 0) return reportError(iok); -// return Py_BuildValue("i",0); -// } - -// static PyObject* -// py_reactor_step(PyObject *self, PyObject *args) -// { -// int n; -// double t; -// if (!PyArg_ParseTuple(args, "id:reactor_step", &n, &t)) -// return NULL; -// return Py_BuildValue("d",reactor_step(n, t)); -// } - -// static PyObject* -// py_reactor_time(PyObject *self, PyObject *args) -// { -// int n; -// if (!PyArg_ParseTuple(args, "i:reactor_time", &n)) -// return NULL; -// double t = reactor_time(n); -// return Py_BuildValue("d",t); -// } - static PyObject* py_reactor_mass(PyObject* self, PyObject* args) { diff --git a/src/python/methods.h b/src/python/methods.h index 9ed8f190e..4b7169455 100644 --- a/src/python/methods.h +++ b/src/python/methods.h @@ -202,7 +202,6 @@ static PyMethodDef ct_methods[] = { // {"bndry_setmdot", py_bndry_setmdot, METH_VARARGS}, {"flowdev_ready", py_flowdev_ready, METH_VARARGS}, - //{"reactor_setInitialTime", py_reactor_setInitialTime, METH_VARARGS}, {"reactornet_setInitialTime", py_reactornet_setInitialTime, METH_VARARGS}, {"reactornet_setTolerances", py_reactornet_setTolerances, METH_VARARGS}, {"reactornet_setSensitivityTolerances", py_reactornet_setSensitivityTolerances, METH_VARARGS}, @@ -217,10 +216,7 @@ static PyMethodDef ct_methods[] = { {"reactor_setThermoMgr", py_reactor_setThermoMgr, METH_VARARGS}, {"reactor_setEnergy", py_reactor_setEnergy, METH_VARARGS}, {"reactor_volume", py_reactor_volume, METH_VARARGS}, - //{"reactor_time", py_reactor_time, METH_VARARGS}, {"reactornet_time", py_reactornet_time, METH_VARARGS}, - // {"reactor_advance", py_reactor_advance, METH_VARARGS}, - //{"reactor_step", py_reactor_step, METH_VARARGS}, {"reactornet_addreactor", py_reactornet_addreactor, METH_VARARGS}, {"reactornet_advance", py_reactornet_advance, METH_VARARGS}, {"reactornet_step", py_reactornet_step, METH_VARARGS}, diff --git a/src/zeroD/ConstPressureReactor.cpp b/src/zeroD/ConstPressureReactor.cpp index 1fb9a15d7..20f793c35 100644 --- a/src/zeroD/ConstPressureReactor.cpp +++ b/src/zeroD/ConstPressureReactor.cpp @@ -27,7 +27,6 @@ getInitialConditions(double t0, size_t leny, double* y) throw CanteraError("getInitialConditions", "Error: reactor is empty."); } - m_time = t0; m_thermo->restoreState(m_state); // total mass @@ -132,7 +131,6 @@ void ConstPressureReactor::evalEqs(doublereal time, doublereal* y, doublereal* ydot, doublereal* params) { size_t nk; - m_time = time; m_thermo->restoreState(m_state); Kinetics* kin; diff --git a/src/zeroD/FlowReactor.cpp b/src/zeroD/FlowReactor.cpp index 24a6dfad3..9c55231bc 100644 --- a/src/zeroD/FlowReactor.cpp +++ b/src/zeroD/FlowReactor.cpp @@ -25,7 +25,6 @@ void FlowReactor::getInitialConditions(double t0, size_t leny, double* y) writelog("Error: reactor is empty.\n"); return; } - m_time = t0; m_thermo->restoreState(m_state); m_thermo->getMassFractions(y+2); @@ -79,7 +78,6 @@ void FlowReactor::updateState(doublereal* y) void FlowReactor::evalEqs(doublereal time, doublereal* y, doublereal* ydot, doublereal* params) { - m_time = time; m_thermo->restoreState(m_state); double mult; diff --git a/src/zeroD/Reactor.cpp b/src/zeroD/Reactor.cpp index cb5a1091e..69c065253 100644 --- a/src/zeroD/Reactor.cpp +++ b/src/zeroD/Reactor.cpp @@ -7,7 +7,6 @@ // Copyright 2001 California Institute of Technology #include "cantera/zeroD/Reactor.h" -//#include "../CVode.h" #include "cantera/zeroD/FlowDevice.h" #include "cantera/zeroD/Wall.h" #include "cantera/kinetics/InterfaceKinetics.h" @@ -19,11 +18,8 @@ namespace Cantera { Reactor::Reactor() : ReactorBase(), m_kin(0), - m_temp_atol(1.e-11), - m_maxstep(0.0), m_vdot(0.0), m_Q(0.0), - m_rtol(1.e-9), m_chem(true), m_energy(true), m_nsens(npos) @@ -38,7 +34,6 @@ void Reactor::getInitialConditions(double t0, size_t leny, double* y) cout << "Error: reactor is empty." << endl; return; } - m_time = t0; m_thermo->restoreState(m_state); // total mass @@ -180,7 +175,6 @@ void Reactor::updateState(doublereal* y) void Reactor::evalEqs(doublereal time, doublereal* y, doublereal* ydot, doublereal* params) { - m_time = time; m_thermo->restoreState(m_state); // process sensitivity parameters diff --git a/src/zeroD/ReactorBase.cpp b/src/zeroD/ReactorBase.cpp index 573046d03..45afcf51f 100644 --- a/src/zeroD/ReactorBase.cpp +++ b/src/zeroD/ReactorBase.cpp @@ -14,7 +14,6 @@ namespace Cantera ReactorBase::ReactorBase(string name) : m_nsp(0), m_thermo(0), - m_time(0.0), m_vol(1.0), m_vol0(1.0), m_init(false),