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This commit is contained in:
Dave Goodwin 2003-08-08 00:34:43 +00:00
parent ed7949cd4a
commit 6d852ebafd
14 changed files with 226 additions and 90 deletions
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9
Cantera/README.txt Normal file
View file

@ -0,0 +1,9 @@
This directory contains the source for Cantera and its various language interfaces.
clib - the library of C-callable functions used by the Python and Matlab interfaces.
cxx - files that are only required for C++ application programs.
matlab - the Cantera Matlab toolbox
python - the Cantera Python package
src - the Cantera kernel

5
Cantera/clib/README.txt Normal file
View file

@ -0,0 +1,5 @@
This directory contains code that implements C-callable functions that
can be used to create and use Cantera objects from languages other
than C++. It is used by both the Python and Matlab interface packages.

5
Cantera/clib/src/ct.cpp
View file

@ -831,14 +831,15 @@ extern "C" {
int DLL_EXPORT readlog(int n, char* buf) {
string s;
getlog(s);
writelog("function readlog is deprecated!");
//getlog(s);
int nlog = s.size();
if (n < 0) return nlog;
int nn = min(n-1, nlog);
copy(s.begin(), s.begin() + nn,
buf);
buf[min(nlog, n-1)] = '\0';
clearlog();
//clearlog();
return 0;
}

2
Cantera/cxx/writelog.cpp
View file

@ -3,7 +3,7 @@
using namespace std;
namespace Cantera {
void writelog(const string& s) {
cout << s;
}

2
Cantera/matlab/cantera/private/ctmethods.cpp
View file

@ -69,7 +69,7 @@ extern "C" {
int iclass = getInt(prhs[0]);
// specifies that function writelog should write to MATLAB
Cantera::setMatlabMode(true);
//Cantera::setMatlabMode(true);
// Hand off to the appropriate routine, based on the
// value of the first parameter

113
Cantera/python/Cantera/ctml_writer.py
View file

@ -1,8 +1,15 @@
#
# Cantera input file processor
#
# The functions and classes in this module process Cantera .cti input files and produce CTML files. #
# usage:
#
# from Cantera import *
# from Cantera.ctml_writer import *
# execfile('infile.cti')
# write()
#
from Cantera import CanteraError
from Cantera import GasConstant
from Cantera.XML import XML_Node
import types, math
@ -17,6 +24,12 @@ SKIP_UNDECLARED_ELEMENTS = 20
SKIP_UNDECLARED_SPECIES = 30
STOP = 0
_EXCEPT = 10
_WARN = 2
_SKIP = 1
_handle_undeclared_element = _EXCEPT
_handle_undeclared_species = _EXCEPT
# default units
_ulen = 'm'
_umol = 'kmol'
@ -30,18 +43,26 @@ _pref = 1.0e5 # 1 bar
_name = 'noname'
_species = []
_speciesnames = []
_phases = []
_reactions = []
_atw = {}
_mw = {}
def isnum(a):
"""True if a is an integer or floating-point number."""
if type(a) == types.IntType or type(a) == types.FloatType:
return 1
else:
return 0
def is_local_species(name):
if name in _speciesnames:
return 1
return 0
def dataset(nm):
"Set the dataset name"
global _name
_name = nm
@ -49,6 +70,15 @@ def standard_pressure(p0):
"""Set the default standard-state pressure."""
global _pref
_pref = p0
def on_error(undeclared_element = '', undeclared_species = ''):
global _handle_undeclared_species
global _handle_undeclared_element
_handle_undeclared_species = undeclared_species
_handle_undeclared_element = undeclared_element
def get_atomic_wts():
global _atw
@ -216,6 +246,8 @@ class species(writer):
global _species
_species.append(self)
global _speciesnames
_speciesnames.append(name)
def build(self, p):
@ -417,22 +449,13 @@ class reaction(writer):
else:
nstr = `self._num`
id = nstr
p.addComment(" reaction "+id+" ")
r = p.addChild('reaction')
r['id'] = id
if self.rev:
r['reversible'] = 'yes'
else:
r['reversible'] = 'no'
ee = self._e.replace('<','[')
ee = ee.replace('>',']')
r.addChild('equation',ee)
mdim = 0
ldim = 0
str = ''
for s in self._r.keys():
ns = self._r[s]
nm = -999
@ -446,12 +469,49 @@ class reaction(writer):
if ph.is_ideal_gas():
self._igspecies.append(s)
break
if nm < 0:
print self._r
raise 'undeclared species '+s
else:
mdim += nm*ns
ldim += nl*ns
## if nm < 0:
## if _handle_undeclared_species == _WARN:
## print 'Warning... skipping reaction '+self._e
## print 'because species '+s+' is undeclared'
## if _handle_undeclared_species <= _WARN:
## return 0
## else:
## raise CanteraError('undeclared species '+s+' in reaction '+self._e)
## else:
mdim += nm*ns
ldim += nl*ns
## for s in self._p.keys():
## ns = self._p[s]
## ok = 0
## for ph in _phases:
## if ph.has_species(s):
## ok = 1
## break
## if not ok:
## if _handle_undeclared_species == _WARN:
## print 'Warning... skipping reaction '+self._e
## print 'because species '+s+' is undeclared'
## if _handle_undeclared_species <= _WARN:
## return 0
## else:
## raise CanteraError('undeclared species '+s+' in reaction '+self._e)
p.addComment(" reaction "+id+" ")
r = p.addChild('reaction')
r['id'] = id
if self.rev:
r['reversible'] = 'yes'
else:
r['reversible'] = 'no'
ee = self._e.replace('<','[')
ee = ee.replace('>',']')
r.addChild('equation',ee)
# adjust the moles and length powers based on the dimensions of
# the rate of progress (moles/length^2 or moles/length^3)
@ -537,6 +597,7 @@ class three_body_reaction(reaction):
def build(self, p):
r = reaction.build(self, p)
if r == 0: return
kfnode = r.child('rateCoeff')
if self._eff:
@ -591,7 +652,7 @@ class falloff_reaction(reaction):
def build(self, p):
r = reaction.build(self, p)
if r == 0: return
kfnode = r.child('rateCoeff')
if self._eff and self._effm >= 0.0:
@ -748,6 +809,10 @@ class phase(writer):
datasrc = r[0]
ra = p.addChild('reactionArray')
ra['datasrc'] = datasrc+'#reaction_data'
if _handle_undeclared_species == 'skip':
rk = ra.addChild('skip')
rk['species'] = 'undeclared'
rtoks = r[1].split()
if rtoks[0] <> 'all':
i = ra.addChild('include')
@ -770,10 +835,10 @@ class phase(writer):
datasrc, names = s
sa = ph.addChild('speciesArray',names)
sa['datasrc'] = datasrc+'#species_data'
if self._skip:
sk = sa.addChild('skip')
sk['element'] = 'undeclared'
if _handle_undeclared_element == 'skip':
sk = sa.addChild('skip')
sk['element'] = 'undeclared'
if self._rxns <> 'none':
self.buildrxns(ph)

4
Cantera/python/Cantera/exceptions.py
View file

@ -9,9 +9,9 @@ class CanteraError(Exception):
msg = _cantera.get_Cantera_Error()
self.msg = msg
def __str__(self):
print '\n\n\n############# CANTERA ERROR ############\n'
print '\n\n\n####################### CANTERA ERROR ######################\n'
print ' ',self.msg
print '\n##########################################\n'
print '\n##############################################################\n'
class OptionError(CanteraError):

6
Cantera/python/src/writelog.cpp
View file

@ -2,7 +2,7 @@
#include <string>
using namespace std;
static std::string ss = "print \"";
static std::string ss = "print \"\"\" ";
namespace Cantera {
@ -11,9 +11,9 @@ namespace Cantera {
int n = 0;
while (ch != '\0') {
if (ch =='\n') {
ss += "\"";
ss += "\"\"\"";
PyRun_SimpleString((char *)ss.c_str());
ss = "print \"";
ss = "print \"\"\"";
}
else
ss += ch;

2
Cantera/src/ChemEquil.h
View file

@ -26,7 +26,7 @@ using namespace std;
#include "ct_defs.h"
#include "vec_functions.h"
#include "ctexceptions.h"
#include "Thermo.h"
#include "ThermoPhase.h"
#include "PropertyCalculator.h"
#include "DenseMatrix.h"

2
Cantera/src/ConstDensityThermo.h
View file

@ -17,7 +17,7 @@
#include "ct_defs.h"
#include "mix_defs.h"
#include "Thermo.h"
#include "ThermoPhase.h"
#include "SpeciesThermo.h"
namespace Cantera {

62
Cantera/src/ct2ctml.cpp
View file

@ -39,20 +39,26 @@ namespace ctml {
}
f << "from Cantera import *\n";
f.close();
int ierr = 0;
string cmd = pypath() + " " + path + " &> " + tmpDir() + "/log";
int ierr = system(cmd.c_str());
if (ierr != 0) {
string msg;
msg = cmd + "\n\n########################################################################\n\n"
"The Cantera Python interface is required in order to process\n"
"Cantera input files, but it does not seem to be correctly installed.\n\n"
"Check that you can invoke the Python interpreter with \n"
"the command \"python\", and that typing \"from Cantera import *\"\n"
"at the Python prompt does not produce an error. If Python on your system\n"
"is invoked with some other command, set environment variable PYTHON_CMD\n"
"to the full path to the Python interpreter. \n\n"
"#########################################################################\n\n";
writelog(msg);
try {
ierr = system(cmd.c_str());
if (ierr != 0) {
string msg;
msg = cmd + "\n\n########################################################################\n\n"
"The Cantera Python interface is required in order to process\n"
"Cantera input files, but it does not seem to be correctly installed.\n\n"
"Check that you can invoke the Python interpreter with \n"
"the command \"python\", and that typing \"from Cantera import *\"\n"
"at the Python prompt does not produce an error. If Python on your system\n"
"is invoked with some other command, set environment variable PYTHON_CMD\n"
"to the full path to the Python interpreter. \n\n"
"#########################################################################\n\n";
writelog(msg);
return false;
}
}
catch (...) {
return false;
}
return true;
@ -76,19 +82,37 @@ namespace ctml {
<< "write()\n";
f.close();
string cmd = pypath() + " " + path + " &> ct2ctml.log";
int ierr = system(cmd.c_str());
if (ierr != 0) {
string msg = cmd;
int ierr;
try {
ierr = system(cmd.c_str());
}
catch (...) {
ierr = -10;
}
char line[90];
//if (ierr != 0) {
try {
char ch;
string s = "";
ifstream ferr("ct2ctml.log");
if (ferr) {
char line[80];
while (!ferr.eof()) {
//msg += "\n";
ferr.getline(line, 80);
writelog(string(line)+"\n");
ferr.get(ch);
s += ch;
if (ch == '\n') {
writelog(s);
s = "";
}
}
ferr.close();
}
}
catch (...) {
; //writelog("could not print error message.\n");
}
if (ierr != 0) {
string msg = cmd;
bool pyok = checkPython();
if (!pyok)
msg += "\nError in Python installation.";

12
Cantera/src/ctml.cpp
View file

@ -191,14 +191,14 @@ namespace ctml {
if (vmin != "") {
x0 = atof(vmin.c_str());
if (x < x0 - Tiny) {
write("\nWarning: value "+fi()+" is below lower limit of "
writelog("\nWarning: value "+fi()+" is below lower limit of "
+vmin+".\n");
}
}
if (fi["max"] != "") {
x1 = atof(vmax.c_str());
if (x > x1 + Tiny) {
write("\nWarning: value "+fi()+" is above upper limit of "
writelog("\nWarning: value "+fi()+" is above upper limit of "
+vmax+".\n");
}
}
@ -232,14 +232,14 @@ namespace ctml {
if (vmin != "") {
x0 = atof(vmin.c_str());
if (x < x0 - Tiny) {
write("\nWarning: value "+node()+" is below lower limit of "
writelog("\nWarning: value "+node()+" is below lower limit of "
+vmin+".\n");
}
}
if (node["max"] != "") {
x1 = atof(vmax.c_str());
if (x > x1 + Tiny) {
write("\nWarning: value "+node()+" is above upper limit of "
writelog("\nWarning: value "+node()+" is above upper limit of "
+vmax+".\n");
}
}
@ -286,11 +286,11 @@ namespace ctml {
}
vv = v.back();
if (vmin != Undef && vv < vmin - Tiny) {
write("\nWarning: value "+fp2str(vv)+
writelog("\nWarning: value "+fp2str(vv)+
" is below lower limit of " +fp2str(vmin)+".\n");
}
if (vmax != Undef && vv > vmax + Tiny) {
write("\nWarning: value "+fp2str(vv)+
writelog("\nWarning: value "+fp2str(vv)+
" is above upper limit of " +fp2str(vmin)+".\n");
}
}

51
Cantera/src/global.h
View file

@ -1,5 +1,9 @@
/**
* @file global.h
*
* These functions handle various utility functions, and store some parameters in
* global storage that are accessible at all times.
8
*/
/* $Author$
@ -17,7 +21,7 @@
namespace Cantera {
/// Number of errors that have been encountered
/// Number of errors that have been encountered so far
int nErrors();
/// The last error message
@ -26,7 +30,7 @@ namespace Cantera {
/// Add an error message
void setError(string r, string msg);
/// Print the error messages to f
/// Print the error messages to stream f
void showErrors(ostream& f);
/// Discard the last error message
@ -38,26 +42,53 @@ namespace Cantera {
/// Add a directory to the search path
void addDirectory(string dir);
/// Write a message
void write(const string& msg);
// Write a message (deprecated; use writelog)
//void write(const string& msg);
/// Write a message
void write(const char* msg);
// Write a message (deprecated; use writelog)
//void write(const char* msg);
/// The root directory where Cantera is installed
string canteraRoot();
/// Set the temporary file directory. Default: /tmp.
void setTmpDir(string tmp);
/// The directory where temporary files may be created
string tmpDir();
/**
* Write a diagnostic message to an internal buffer.
*/
* Write a diagnostic message to standard output.
*
* There are several versions of function writelog, each designed
* for a particular environment. One version is designed for use
* in C++ programs, or in any environment where messages can be
* written to the standard output stream. Other versions are
* written specifically for Matlab and for Python, which call
* Matlab or Python functions, respectively, to display the
* message. This is particularly important for Matlab, since
* everything written to the standard output simply
* disappears. For Python, the messages show up, but are not in
* the right order if Python scripts also print output. Hence the
* need for separate versions.
*
* The C++ version may be linked to an application by linking in
* the library libctcxx.a (-lctcxx). The Python and Matlab
* interfaces do not link this library, and instead link to their
* own versions of writelog.
*/
void writelog(const string& msg);
void writelog(const char* msg);
void getlog(string& s);
void clearlog();
//void getlog(string& s);
//void clearlog();
/**
* Return the conversion factor to convert unit string 'unit' to SI units.
*/
doublereal toSI(string unit);
doublereal actEnergyToSI(string unit);
//

41
Cantera/src/misc.cpp
View file

@ -33,7 +33,7 @@ namespace Cantera {
class Application {
public:
Application() : linelen(0), stop_on_error(false),
write_log_to_cout(true), matlab(false), tmp_dir("/tmp") {}
tmp_dir("/tmp") {}
virtual ~Application(){}
vector<string> inputDirs;
vector<string> errorMessage;
@ -42,8 +42,8 @@ namespace Cantera {
string msglog;
size_t linelen;
bool stop_on_error;
bool write_log_to_cout;
bool matlab;
//bool write_log_to_cout;
//bool matlab;
map<string, string> options;
string tmp_dir;
};
@ -69,10 +69,10 @@ namespace Cantera {
return __app;
}
void setTmpDir(string tmp) { appinit(); __app->tmp_dir = tmp; }
string tmpDir() { appinit(); return __app->tmp_dir; }
void setTmpDir(string tmp) { app()->tmp_dir = tmp; }
string tmpDir() { appinit(); return app()->tmp_dir; }
int nErrors() {return __app->errorMessage.size();}
int nErrors() {return app()->errorMessage.size();}
void popError() {
appinit();
@ -256,22 +256,23 @@ namespace Cantera {
}
}
void setMatlabMode(bool m) {
appinit();
__app->matlab = m;
}
//void setMatlabMode(bool m) {
// appinit();
// __app->matlab = m;
//}
//void write(const string& msg) {cout << msg;}
//void write(const char* msg) {cout << msg;}
void write(const string& msg) {cout << msg;}
void write(const char* msg) {cout << msg;}
void writelog(const char* msg) {writelog(string(msg));}
void getlog(string& s) {
appinit();
s = __app->msglog;
//__app->msglog = "";
}
void clearlog() {
__app->msglog = "";
}
//void getlog(string& s) {
// appinit();
// s = __app->msglog;
// //__app->msglog = "";
//}
//void clearlog() {
// __app->msglog = "";
//}
doublereal toSI(string unit) {
doublereal f = Unit::units()->toSI(unit);