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This commit is contained in:
Dave Goodwin 2006-05-08 15:43:20 +00:00
parent cfb576c774
commit cbb2eb6beb
17 changed files with 79 additions and 53 deletions
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30
Cantera/matlab/cantera/@Reactor/setEnergy.m
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@ -1,12 +1,24 @@
function setEnergy(f, flag) function setEnergy(f, flag)
% SETENERGY - % SETENERGY - enable or disable solving the energy equation. If the
% energy equation is disabled, then the reactor temperature is
% constant. The parameter should be the string 'on' to enable the
% energy equation, or 'off' to disable it.
% %
iflag = 0 % By default, Reactor objects are created with the energy equation
try % enabled, so usually this method is only needed to disable the
if strcmp(flag,{'on'}) % energy equation for isothermal simulations.
iflag = 1 %
end % >>> setEnergy(r, 'on');
catch % >>> setEnergy(r, 'off');
iflag = 0 %
iflag = -1
if strcmp(flag,{'on'})
iflag = 1;
elseif strcmp(flag,{'off'})
iflag = 0;
end
if iflag >= 0
reactormethods(9, f.index, iflag)
else
error('input to setEnergy not understood');
end end
reactormethods(9, f.index, iflag)

2
Cantera/matlab/cantera/@Reactor/setInitialTime.m
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@ -1,5 +1,5 @@
function setInitialTime(r, t0) function setInitialTime(r, t0)
% SETINITIALTIME - % SETINITIALTIME - set the initial time. Deprecated.
% %
reactormethods(5, reactor_hndl(r), t0); reactormethods(5, reactor_hndl(r), t0);

4
Cantera/matlab/cantera/@Reactor/setKineticsMgr.m
View file

@ -1,5 +1,7 @@
function setKineticsMgr(r, k) function setKineticsMgr(r, k)
% SETKINETICSMGR - set the kinetics manager % SETKINETICSMGR - set the kinetics manager. This method is used
% internally during Reactor initialization, but is usually not
% called by users.
% %
if ~isa(k,'Kinetics') if ~isa(k,'Kinetics')
error('wrong object type'); error('wrong object type');

3
Cantera/matlab/cantera/examples/reactor1.m
View file

@ -1,6 +1,9 @@
function reactor1(g) function reactor1(g)
% REACTOR1 Zero-dimensional kinetics: adiabatic, constant pressure. % REACTOR1 Zero-dimensional kinetics: adiabatic, constant pressure.
% %
% >>>> For a simpler way to carry out a constant-pressure simulation,
% see example reactor3.m <<<<<
%
% This example illustrates how to use class 'Reactor' for % This example illustrates how to use class 'Reactor' for
% zero-dimensional kinetics simulations. Here the parameters are % zero-dimensional kinetics simulations. Here the parameters are
% set so that the reactor is adiabatic and very close to constant % set so that the reactor is adiabatic and very close to constant

1
Cantera/python/Cantera/Reactor.py
View file

@ -422,7 +422,6 @@ class ConstPressureReactor(ReactorBase):
""" """
def __init__(self, contents = None, name = '', def __init__(self, contents = None, name = '',
volume = 1.0, energy = 'on', volume = 1.0, energy = 'on',
mdot = -1.0,
verbose = 0): verbose = 0):
""" """
contents - Reactor contents. If not specified, the reactor is contents - Reactor contents. If not specified, the reactor is

37
Cantera/python/examples/reactors/piston.py
View file

@ -1,21 +1,22 @@
# """
# Gas 1: a stoichiometric H2/O2/Ar mixture Gas 1: a stoichiometric H2/O2/Ar mixture
# Gas 2: a wet CO/O2 mixture Gas 2: a wet CO/O2 mixture
#
# ------------------------------------- -------------------------------------
# | || | | || |
# | || | | || |
# | gas 1 || gas 2 | | gas 1 || gas 2 |
# | || | | || |
# | || | | || |
# ------------------------------------- -------------------------------------
#
# The two volumes are connected by an adiabatic free piston. The two volumes are connected by an adiabatic free piston.
# The piston speed is proportional to the pressure difference The piston speed is proportional to the pressure difference
# between the two chambers. between the two chambers.
#
# Note that each side uses a *different* reaction mechanism Note that each side uses a *different* reaction mechanism
#
"""
from Cantera import * from Cantera import *
from Cantera.Reactor import * from Cantera.Reactor import *
import sys import sys

3
Cantera/python/src/writelog.cpp
View file

@ -10,10 +10,11 @@ namespace Cantera {
class Py_Logger : public Logger { class Py_Logger : public Logger {
public: public:
Py_Logger() {} Py_Logger() { cout << "created Py_Logger" << endl;}
virtual ~Py_Logger() {} virtual ~Py_Logger() {}
virtual void write(const string& s) { virtual void write(const string& s) {
cout << "write..." << endl;
char ch = s[0]; char ch = s[0];
int n = 0; int n = 0;
while (ch != '\0') { while (ch != '\0') {

6
Cantera/src/State.cpp
View file

@ -20,9 +20,9 @@
#include "stringUtils.h" #include "stringUtils.h"
#include "State.h" #include "State.h"
#ifdef DARWIN //#ifdef DARWIN
#include <Accelerate.h> //#include <Accelerate.h>
#endif //#endif
namespace Cantera { namespace Cantera {

1
Cantera/src/zeroD/ConstPressureReactor.cpp
View file

@ -96,7 +96,6 @@ namespace CanteraZeroD {
// The components of y are the total enthalpy, // The components of y are the total enthalpy,
// the total volume, and the mass of each species. // the total volume, and the mass of each species.
doublereal h = y[0]; doublereal h = y[0];
doublereal* mss = y + 2; doublereal* mss = y + 2;
doublereal mass = accumulate(y+2, y+2+m_nsp, 0.0); doublereal mass = accumulate(y+2, y+2+m_nsp, 0.0);

2
Cantera/src/zeroD/ConstPressureReactor.h
View file

@ -49,7 +49,7 @@ namespace CanteraZeroD {
//----------------------------------------------------- //-----------------------------------------------------
virtual int neq() { return m_nv; } //virtual int neq() { return m_nv; }
virtual void getInitialConditions(doublereal t0, size_t leny, virtual void getInitialConditions(doublereal t0, size_t leny,
doublereal* y); doublereal* y);

6
Cantera/src/zeroD/Makefile.in
View file

@ -18,9 +18,11 @@ do_ranlib = @DO_RANLIB@
CXX_FLAGS = @CXXFLAGS@ $(CXX_OPT) CXX_FLAGS = @CXXFLAGS@ $(CXX_OPT)
# stirred reactors # stirred reactors
OBJS = Reactor.o ReactorBase.o FlowDevice.o Wall.o ReactorNet.o FlowReactor.o OBJS = Reactor.o ReactorBase.o FlowDevice.o Wall.o ReactorNet.o \
FlowReactor.o ConstPressureReactor.o ReactorFactory.o
ZEROD_H = Reactor.h ReactorBase.h FlowDevice.h Wall.h ReactorNet.h \ ZEROD_H = Reactor.h ReactorBase.h FlowDevice.h Wall.h ReactorNet.h \
flowControllers.h PID_Controller.h Reservoir.h FlowReactor.h flowControllers.h PID_Controller.h Reservoir.h FlowReactor.h \
ConstPressureReactor.h ReactorFactory.h
CXX_INCLUDES = -I.. CXX_INCLUDES = -I..
ZEROD_LIB = @buildlib@/libzeroD.a ZEROD_LIB = @buildlib@/libzeroD.a

11
configure vendored
View file

@ -1367,7 +1367,7 @@ mex_ext=mexglx
case $ac_sys_system in case $ac_sys_system in
Darwin*) OS_IS_DARWIN=1; Darwin*) OS_IS_DARWIN=1;
EXTRA_LINK="-framework Accelerate $EXTRA_LINK"; EXTRA_LINK="-framework Accelerate $EXTRA_LINK";
CXX_INCLUDES="$CXX_INCLUDES -I/System/Library/Frameworks/Accelerate.framework/Headers" # CXX_INCLUDES="$CXX_INCLUDES -I/System/Library/Frameworks/Accelerate.framework/Headers"
mex_ext=mexmac;; mex_ext=mexmac;;
CYGWIN*) OS_IS_CYGWIN=1; mex_ext=dll;; CYGWIN*) OS_IS_CYGWIN=1; mex_ext=dll;;
Linux* ) case $BITHARDWARE in Linux* ) case $BITHARDWARE in
@ -2618,7 +2618,8 @@ _ACEOF
echo "using CVODES from SUNDIALS... Sensitivity analysis enabled." echo "using CVODES from SUNDIALS... Sensitivity analysis enabled."
CVODE_LIBS='-lsundials_cvodes -lsundials_shared -lsundials_nvecserial' CVODE_LIBS='-lsundials_cvodes -lsundials_shared -lsundials_nvecserial'
sundials_include='-I'${SUNDIALS_HOME}/include sundials_include='-I'${SUNDIALS_HOME}'/include -I'${SUNDIALS_HOME}'/include/sundials -I'${SUNDIALS_HOME}'/include/cvodes'
echo "sundials include directory: " ${sundials_include}
fi fi
if test ${use_sundials} = 0; then if test ${use_sundials} = 0; then
@ -7765,7 +7766,7 @@ fi
# Provide some information about the compiler. # Provide some information about the compiler.
echo "$as_me:7768:" \ echo "$as_me:7769:" \
"checking for Fortran 77 compiler version" >&5 "checking for Fortran 77 compiler version" >&5
ac_compiler=`set X $ac_compile; echo $2` ac_compiler=`set X $ac_compile; echo $2`
{ (eval echo "$as_me:$LINENO: \"$ac_compiler --version </dev/null >&5\"") >&5 { (eval echo "$as_me:$LINENO: \"$ac_compiler --version </dev/null >&5\"") >&5
@ -7942,7 +7943,7 @@ _ACEOF
# flags. # flags.
ac_save_FFLAGS=$FFLAGS ac_save_FFLAGS=$FFLAGS
FFLAGS="$FFLAGS $ac_verb" FFLAGS="$FFLAGS $ac_verb"
(eval echo $as_me:7945: \"$ac_link\") >&5 (eval echo $as_me:7946: \"$ac_link\") >&5
ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
echo "$ac_f77_v_output" >&5 echo "$ac_f77_v_output" >&5
FFLAGS=$ac_save_FFLAGS FFLAGS=$ac_save_FFLAGS
@ -8022,7 +8023,7 @@ _ACEOF
# flags. # flags.
ac_save_FFLAGS=$FFLAGS ac_save_FFLAGS=$FFLAGS
FFLAGS="$FFLAGS $ac_cv_prog_f77_v" FFLAGS="$FFLAGS $ac_cv_prog_f77_v"
(eval echo $as_me:8025: \"$ac_link\") >&5 (eval echo $as_me:8026: \"$ac_link\") >&5
ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'` ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
echo "$ac_f77_v_output" >&5 echo "$ac_f77_v_output" >&5
FFLAGS=$ac_save_FFLAGS FFLAGS=$ac_save_FFLAGS

8
configure.in
View file

@ -81,7 +81,7 @@ mex_ext=mexglx
case $ac_sys_system in case $ac_sys_system in
Darwin*) OS_IS_DARWIN=1; Darwin*) OS_IS_DARWIN=1;
EXTRA_LINK="-framework Accelerate $EXTRA_LINK"; EXTRA_LINK="-framework Accelerate $EXTRA_LINK";
CXX_INCLUDES="$CXX_INCLUDES -I/System/Library/Frameworks/Accelerate.framework/Headers" # CXX_INCLUDES="$CXX_INCLUDES -I/System/Library/Frameworks/Accelerate.framework/Headers"
mex_ext=mexmac;; mex_ext=mexmac;;
CYGWIN*) OS_IS_CYGWIN=1; mex_ext=dll;; CYGWIN*) OS_IS_CYGWIN=1; mex_ext=dll;;
Linux* ) case $BITHARDWARE in Linux* ) case $BITHARDWARE in
@ -302,7 +302,8 @@ if test ${use_sundials} = 1; then
AC_DEFINE(HAS_SUNDIALS) AC_DEFINE(HAS_SUNDIALS)
echo "using CVODES from SUNDIALS... Sensitivity analysis enabled." echo "using CVODES from SUNDIALS... Sensitivity analysis enabled."
CVODE_LIBS='-lsundials_cvodes -lsundials_shared -lsundials_nvecserial' CVODE_LIBS='-lsundials_cvodes -lsundials_shared -lsundials_nvecserial'
sundials_include='-I'${SUNDIALS_HOME}/include sundials_include='-I'${SUNDIALS_HOME}'/include -I'${SUNDIALS_HOME}'/include/sundials -I'${SUNDIALS_HOME}'/include/cvodes'
echo "sundials include directory: " ${sundials_include}
fi fi
if test ${use_sundials} = 0; then if test ${use_sundials} = 0; then
@ -394,11 +395,14 @@ if test "$ENABLE_EQUIL" = "y" ; then
# NEED_RECIPES=1 # NEED_RECIPES=1
fi fi
WITH_REACTORS=0
if test "$ENABLE_REACTORS" = "y" ; then if test "$ENABLE_REACTORS" = "y" ; then
KERNEL=$KERNEL' 'reactor KERNEL=$KERNEL' 'reactor
NEED_CVODE=1 NEED_CVODE=1
NEED_ZEROD=1 NEED_ZEROD=1
WITH_REACTORS=1
fi fi
AC_SUBST(WITH_REACTORS)
if test "$ENABLE_SOLVERS" = "y" ; then if test "$ENABLE_SOLVERS" = "y" ; then
KERNEL=$KERNEL' 'solvers KERNEL=$KERNEL' 'solvers

1
examples/cxx/Makefile.in
View file

@ -13,6 +13,7 @@ PROG_NAME = cxx_examples
# the object files to be linked together. List those generated from Fortran # the object files to be linked together. List those generated from Fortran
# and from C/C++ separately # and from C/C++ separately
OBJS = examples.o kinetics_example1.o kinetics_example2.o \ OBJS = examples.o kinetics_example1.o kinetics_example2.o \
kinetics_example3.o \
equil_example1.o \ equil_example1.o \
transport_example1.o transport_example2.o \ transport_example1.o transport_example2.o \
rxnpath_example1.o rxnpath_example1.o

5
examples/cxx/examples.cpp
View file

@ -8,10 +8,11 @@
#pragma warning(disable:4503) #pragma warning(disable:4503)
#endif #endif
#define NUM_EXAMPLES 5 #define NUM_EXAMPLES 6
int kinetics_example1(int job); int kinetics_example1(int job);
int kinetics_example2(int job); int kinetics_example2(int job);
int kinetics_example3(int job);
int transport_example1(int job); int transport_example1(int job);
int transport_example2(int job); int transport_example2(int job);
int equil_example1(int job); int equil_example1(int job);
@ -26,7 +27,7 @@ int run_example(int n, exfun f, int job = 2) {
} }
// array of example functions // array of example functions
exfun fex[] = {kinetics_example1, kinetics_example2, exfun fex[] = {kinetics_example1, kinetics_example2, kinetics_example3,
equil_example1, equil_example1,
transport_example1, transport_example2, rxnpath_example1}; transport_example1, transport_example2, rxnpath_example1};

8
preconfig
View file

@ -64,7 +64,7 @@ CANTERA_CONFIG_PREFIX=${CANTERA_CONFIG_PREFIX:=""}
# default try to do a full installation, but fall back to a minimal # default try to do a full installation, but fall back to a minimal
# one in case of errors # one in case of errors
PYTHON_PACKAGE=${PYTHON_PACKAGE:="none"} PYTHON_PACKAGE=${PYTHON_PACKAGE:="default"}
# Cantera needs to know where to find the Python interpreter. If # Cantera needs to know where to find the Python interpreter. If
# PYTHON_CMD is set to "default", then the configuration process will # PYTHON_CMD is set to "default", then the configuration process will
@ -142,7 +142,7 @@ F90=${F90:="default"}
# these compilers will be added automatically, and you do not need to # these compilers will be added automatically, and you do not need to
# specify them here. Otherwise, add any required compiler-specific # specify them here. Otherwise, add any required compiler-specific
# flags here. # flags here.
F90FLAGS=${F90FLAGS:='-O0'} F90FLAGS=${F90FLAGS:='-O3'}
#---------------------------------------------------------------------- #----------------------------------------------------------------------
# Customizations / Extensions # Customizations / Extensions
@ -244,7 +244,7 @@ ENABLE_TPX='y'
# See: http://www.llnl.gov/CASC/sundials # See: http://www.llnl.gov/CASC/sundials
# #
USE_SUNDIALS=${USE_SUNDIALS:='y'} USE_SUNDIALS=${USE_SUNDIALS:='y'}
SUNDIALS_HOME=${SUNDIALS_HOME:='/usr/local/sundials'} SUNDIALS_HOME=${SUNDIALS_HOME:=/usr/local/sundials}
#----------------------------------------------------------------- #-----------------------------------------------------------------
# BLAS and LAPACK # BLAS and LAPACK
@ -292,7 +292,7 @@ CXX=${CXX:=g++}
CC=${CC:=gcc} CC=${CC:=gcc}
# C++ compiler flags # C++ compiler flags
CXXFLAGS=${CXXFLAGS:="-O0 -Wall"} CXXFLAGS=${CXXFLAGS:="-O3 -Wall"}
# the C++ flags required for linking. Uncomment if additional flags # the C++ flags required for linking. Uncomment if additional flags
# need to be passed to the linker. # need to be passed to the linker.

2
tools/src/finish_install.py.in
View file

@ -130,7 +130,7 @@ if ctpath <> "-":
Python package """+ctpath Python package """+ctpath
if warn <> '': if warn <> '':
print warn print warn
else if build_python == 2: elif build_python == 2:
print """ print """
###################################################################### ######################################################################
Warning: the Cantera Python package is not installed. If you Warning: the Cantera Python package is not installed. If you