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misc minor fixes

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This commit is contained in:
Dave Goodwin 2005-11-26 16:08:40 +00:00
parent bcfc876a0a
commit 623dba2b67
12 changed files with 1043 additions and 309 deletions
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2
Cantera/clib/src/ctreactor.cpp
View file

@ -72,6 +72,8 @@ extern "C" {
reactor_t* r=0;
if (type == ReactorType)
r = new Reactor();
else if (type == FlowReactorType)
r = new FlowReactor();
else if (type == ReservoirType)
r = new Reservoir();
else

42
Cantera/python/Cantera/Reactor.py
View file

@ -375,6 +375,48 @@ class Reactor(ReactorBase):
ReactorBase.__init__(self, contents = contents, name = name,
volume = volume, energy = energy,
verbose = verbose, type = 1)
class FlowReactor(ReactorBase):
"""
"""
def __init__(self, contents = None, name = '',
volume = 1.0, energy = 'on',
mdot = -1.0,
verbose = 0):
"""
contents - Reactor contents. If not specified, the reactor is
initially empty. In this case, call method 'insert' to specify
the contents.
name - Used only to identify this reactor in output. If not
specified, defaults to 'Reactor_n', where n is an integer
assigned in the order Reactor objects are created.
volume - Initial reactor volume. Defaults to 1 m^3.
energy - Set to 'on' or 'off'. If set to 'off', the energy
equation is not solved, and the temperature is held at its
initial value. The default in 'on'.
verbose - if set to a non-zero value, additional diagnostic
information will be printed.
"""
global _reactorcount
if name == '':
name = 'FlowReactor_'+`_reactorcount`
_reactorcount += 1
ReactorBase.__init__(self, contents = contents, name = name,
volume = volume, energy = energy,
verbose = verbose, type = 3)
if mdot > 0.0:
self.setMassFlowRate(mdot)
def setMassFlowRate(self, mdot):
_cantera.flowReactor_setMassFlowRate(self.__reactor_id, mdot)
class Reservoir(ReactorBase):

24
Cantera/src/CVodesIntegrator.cpp
View file

@ -111,8 +111,8 @@ namespace Cantera {
CVodeSensFree(m_cvode_mem);
CVodeFree(m_cvode_mem);
}
if (m_y) N_VDestroy_Serial(nv(m_y)); //N_VFree(nv(m_y));
if (m_abstol) N_VDestroy_Serial(nv(m_abstol)); //N_VFree(nv(m_abstol));
if (m_y) N_VDestroy_Serial(nv(m_y));
if (m_abstol) N_VDestroy_Serial(nv(m_abstol));
delete m_fdata;
//delete[] m_iopt;
@ -166,14 +166,12 @@ namespace Cantera {
m_hmax = hmax;
if (m_cvode_mem)
CVodeSetMaxStep(m_cvode_mem, hmax);
//m_ropt[HMAX] = hmax;
}
void CVodesIntegrator::setMinStepSize(doublereal hmin) {
m_hmin = hmin;
if (m_cvode_mem)
CVodeSetMinStep(m_cvode_mem, hmin);
//m_ropt[HMIN] = hmin;
}
void CVodesIntegrator::setMaxSteps(int nmax) {
@ -228,16 +226,10 @@ namespace Cantera {
// check abs tolerance array size
if (m_itol == CV_SV && m_nabs < m_neq)
throw CVodesErr("not enough absolute tolerance values specified.");
//try {
func.getInitialConditions(m_t0, m_neq, NV_DATA_S(nv(m_y)));
//}
//catch (CanteraError) {
//showErrors();
//error("Teminating execution");
// }
func.getInitialConditions(m_t0, m_neq, NV_DATA_S(nv(m_y)));
if (m_cvode_mem) CVodeFree(m_cvode_mem);
m_cvode_mem = CVodeCreate(m_method, m_iter);
if (!m_cvode_mem) throw CVodesErr("CVodeCreate failed.");
@ -246,19 +238,11 @@ namespace Cantera {
// vector atol
flag = CVodeMalloc(m_cvode_mem, cvodes_rhs, m_t0, nv(m_y), m_itol,
m_reltol, nv(m_abstol));
//m_cvode_mem = CVodeMalloc(m_neq, cvode_rhs, m_t0, nv(m_y), m_method,
// m_iter, m_itol, &m_reltol,
// nv(m_abstol), m_data, NULL, TRUE, m_iopt,
// m_ropt.begin(), NULL);
}
else {
// scalar atol
flag = CVodeMalloc(m_cvode_mem, cvodes_rhs, m_t0, nv(m_y), m_itol,
m_reltol, &m_abstols);
//m_cvode_mem = CVodeMalloc(m_neq, cvode_rhs, m_t0, nv(m_y), m_method,
// m_iter, m_itol, &m_reltol,
// &m_abstols, m_data, NULL, TRUE, m_iopt,
// m_ropt.begin(), NULL);
}
if (flag != CV_SUCCESS) {
if (flag == CV_MEM_FAIL) {

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

@ -21,8 +21,8 @@
namespace CanteraZeroD {
/**
* Adiabatic, reversible flow in a constant-area duct.
*/
class FlowReactor : public Reactor {
public:

4
Cantera/src/zeroD/ReactorBase.h
View file

@ -30,8 +30,8 @@ namespace CanteraZeroD {
class FlowDevice;
class Wall;
const int ReactorType = 1;
const int ReservoirType = 2;
const int ReservoirType = 1;
const int ReactorType = 2;
const int FlowReactorType = 3;
/**

3
Cantera/src/zeroD/ReactorNet.cpp
View file

@ -10,6 +10,9 @@ namespace CanteraZeroD {
m_maxstep(-1.0),
m_verbose(false), m_ntotpar(0)
{
#ifdef DEBUG_MODE
m_verbose = true;
#endif
m_integ = newIntegrator("CVODE");// CVodeInt;
// use backward differencing, with a full Jacobian computed

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

@ -88,7 +88,7 @@ namespace CanteraZeroD {
//@}
void addReactor(ReactorBase* r) {
if (r->type() == ReactorType) {
if (r->type() >= ReactorType) {
m_r.push_back(r);
m_nr++;
}

1212
config/configure vendored
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File diff suppressed because it is too large Load diff

14
config/configure.in
View file

@ -240,11 +240,19 @@ AC_SUBST(INCL_USER_CODE)
use_sundials=0
sundials_inc=
CVODE_LIBS='-lcvode'
AC_LANG_C
if test "x$USE_SUNDIALS" = "xy"; then
use_sundials=1
ldsave=$LDFLAGS
LDFLAGS='-L'${SUNDIALS_HOME}/lib' '$ldsave
AC_CHECK_LIB(sundials_cvodes, CVodeCreate, [use_sundials=1;], [use_sundials=0;],[-lsundials_shared -lsundials_nvecserial])
LDFLAGS=$ldsave
if test use_sundials=1; then
AC_DEFINE(HAS_SUNDIALS)
CVODE_LIBS='-lsundials_cvodes -lsundials_shared -lsundials_nvecserial'
sundials_include='-I '${SUNDIALS_HOME}/include
sundials_include='-I'${SUNDIALS_HOME}/include
fi
fi
AC_SUBST(use_sundials)
AC_SUBST(CVODE_LIBS)
@ -493,8 +501,6 @@ fi
if test -n "$SUNDIALS_HOME"
then LOCAL_LIB_DIRS=$LOCAL_LIB_DIRS' -L'$SUNDIALS_HOME/lib
fi
echo $SUNDIALS_HOME
echo $LOCAL_LIB_DIRS
AC_SUBST(LOCAL_LIB_DIRS)

43
configure vendored
View file

@ -245,16 +245,13 @@ SUNDIALS_HOME='/usr/local/sundials'
#-----------------------------------------------------------------
#
# Cantera comes with Fortran versions of those parts of BLAS and
# LAPACK it requires. But performance *may* be better if you use a
# LAPACK it requires. But performance may be better if you use a
# version of these libraries optimized for your machine hardware. If
# you want to use your own libraries, set BLAS_LAPACK_LIBS to the
# string that should be passed to the linker to link to these
# libraries, and set BLAS_LAPACK_DIR to the directory where these
# libraries are located. Otherwise, leave these lines commented out.
#
# (The settings shown here are appropriate if you are using the ATLAS
# libraries.)
#
#BLAS_LAPACK_LIBS='-llapack -lblas'
#'-llapack -lf77blas -lcblas -latlas'
#BLAS_LAPACK_DIR='/usr/lib'
@ -278,7 +275,6 @@ LAPACK_FTN_STRING_LEN_AT_END='y'
#------------------------------------------------------------------
# the C++ compiler to use.
#
CXX=${CXX:=g++}
# the C compiler to use. This is only used to compile CVODE and
@ -286,7 +282,7 @@ CXX=${CXX:=g++}
CC=${CC:=gcc}
# C++ compiler flags
CXXFLAGS=${CXXFLAGS:="-O3 -Wall"}
CXXFLAGS=${CXXFLAGS:="-O0 -g -Wall"}
# the C++ flags required for linking. Uncomment if additional flags
# need to be passed to the linker.
@ -427,7 +423,6 @@ export SHARED
export SOEXT
export MAKE
export RPFONT
export USE_VISUAL_STUDIO
export FORTRAN_LIB_DIR
export CANTERA_INSTALL_DIR
export USE_NUMERIC
@ -463,39 +458,5 @@ fi
./configure $CCPREFIX $1 $2 $3 $4
#-------------- deprecated options ------------------------------------
#
#----------------------------------------------------------------------
# MS-Windows Options
#----------------------------------------------------------------------
#
# These options only need to be set if you are building Cantera on
# a Windows PC.
#
# NOTE: These options are now deprecated. You should build Cantera
# using Visual Studio .NET on Windows PCs, and not use this script
# unless you are doing a unix-like build using cygwin.
#
# Cantera will be installed by default in c:\cantera. Change this to
# install it somewhere else. Use forward slashes in the path name.
#CANTERA_INSTALL_DIR=${CANTERA_INSTALL_DIR:="c:/cantera"}
# On a PC running MS-Windows, Cantera can be built either using
# Microsoft Visual Studio, with the Visual C++ and (optionally)
# Visual Fortran compilers, or using the linux-like cygwin
# environment with the g++ and g77 compilers. Set this to "y" to use
# Visual Studio.
#USE_VISUAL_STUDIO=${USE_VISUAL_STUDIO:="y"}
# If you are using Visual Studio, set this to the location of the
# directory containing the Fortran libraries. This is only needed to
# build the Matlab interface.
#FORTRAN_LIB_DIR="D:\Program Files\Microsoft Visual Studio\DF98\LIB"
#
# If you are using Visual Studio, set this variable to indicates
# whether you want to use DLL's. Note you need this for MSVCv7.0
# but this is turned off for MSVCv6.0
# USE_DLL=yes

2
tools/templates/f77/demo.mak.in
View file

@ -57,7 +57,7 @@ CANTERA_LIBDIR=@ct_libdir@
CANTERA_INCDIR=@ct_incroot@
# flags passed to the C++ compiler/linker for the linking step
LCXXFLAGS = -L$(CANTERA_LIBDIR) @LCXX_FLAGS@
LCXXFLAGS = -L$(CANTERA_LIBDIR) @LOCAL_LIB_DIRS@ @LCXX_FLAGS@
# how to compile C++ source files to object files
.@CXX_EXT@.@OBJ_EXT@:

2
tools/templates/f90/demo.mak.in
View file

@ -51,7 +51,7 @@ CANTERA_INCDIR=@ct_incroot@
CANTERA_MODULE_DIR=@ct_incroot@/cantera
# flags passed to the C++ compiler/linker for the linking step
LCXXFLAGS = -L$(CANTERA_LIBDIR)
LCXXFLAGS = -L$(CANTERA_LIBDIR) @LOCAL_LIB_DIRS@
# how to compile C++ source files to object files
%.o : %.cpp