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Added an endl printing capability to writelog(). Some systems differentiate

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between endl and \n when it comes to flushing the output.
Added C++ printing utilities
This commit is contained in:
Harry Moffat 2008-04-08 20:19:26 +00:00
parent cd3e8d8741
commit e463b77fa2
15 changed files with 913 additions and 44 deletions
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158
Cantera/src/base/LogPrintCtrl.cpp Normal file
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@ -0,0 +1,158 @@
/**
* @file LogPrintCtrl.cpp
* Declarations for a simple class that augments the logfile printing capabilities
* (see \ref Cantera::LogPrintCtrl).
*/
/*
* $Author$
* $Revision$
* $Date$
*/
/*
* Copywrite 2004 Sandia Corporation. Under the terms of Contract
* DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
* retains certain rights in this software.
* See file License.txt for licensing information.
*/
#include <cmath>
#include <iostream>
#include <fstream>
#include "LogPrintCtrl.h"
#include "global.h"
using namespace std;
namespace Cantera {
LogPrintCtrl::LogPrintCtrl(int Ndec) :
m_ffss(0),
m_pc(0)
{
m_ffss = new std::ostream(m_os.rdbuf());
m_pc = new PrintCtrl(*m_ffss, Ndec);
}
LogPrintCtrl::~LogPrintCtrl() {
delete m_pc;
delete m_ffss;
}
// Print a double using scientific notation
/*
* Prints a double using scientific notation in a
* fixed number of spaces
*
*
* @param d double to be printed
* @param w Number of spaces to use
* @param p Precision
*
*
*/
void LogPrintCtrl::pr_de_c10(const double din, int p, const int wMin,
const int wMax) {
m_pc->pr_de_c10(din, p, wMin, wMax);
writelog(m_os.str());
m_os.str("");
}
// Print a double using scientific notation
/*
* Prints a double using scientific notation in a
* fixed number of spaces. Rounding of the last digit is carried out
* by the standard c++ printing utilities.
*
* @param d double to be printed
* @param w Number of spaces to use
* @param p Precision
*/
void LogPrintCtrl::pr_de(const double d, int sigDigIn, const int wMinIn,
const int wMaxIn) {
m_pc->pr_de(d, sigDigIn, wMinIn, wMaxIn);
writelog(m_os.str());
m_os.str("");
}
// Croup a double at a certain decade level
/*
* This routine will crop a floating point number at a certain
* decade lvl. In other words everything below a power of 10^Ndec
* will be deleted.
* Note, it currently does not do rounding of the last digit.
*
* @param d Double to be cropped
* @param nSig Number of significant digits
* example:
* d = 1.1305E-15;
* Ndec = -16;
* This routine will return 1.1E-15
*
* d = 8.0E-17
* Ndec = -16
* This routine will return 0.0
*/
double LogPrintCtrl::cropAbs10(const double d, int Ndec) const {
return m_pc->cropAbs10(d, Ndec);
}
// Crop a double at a certain number of significant digits
/*
* This routine will crop a floating point number at a certain
* number of significant digits. Note, it currently does
* rounding up of the last digit.
*
* example:
* d = 1.0305E-15;
* nsig = 3;
* This routine will return 1.03E-15
*/
double LogPrintCtrl::cropSigDigits(const double d, int nSig) const {
return m_pc->cropSigDigits(d, nSig);
}
// Set the default value of N decade
/*
* @param Ndec new value of Ndec
*
* @return returns the old value of Ndec
*/
int LogPrintCtrl::setNdec(int Ndec) {
return m_pc->setNdec(Ndec);
}
// Set the default significant digits to output
/*
* @param nSigDigits new value of the sig digits
*
* @return returns the old value of Ndec
*/
int LogPrintCtrl::setSigDigits(int nSigDigits) {
return m_pc->setSigDigits(nSigDigits);
}
// Set the default minimum width
/*
* @param wmin Default minimum width
*
* @return returns the old default
*/
int LogPrintCtrl::setWmin(int wmin) {
return m_pc->setWmin(wmin);
}
// Set the default maximum width
/*
* @param wmin Default maximum width
*
* @return returns the old default
*/
int LogPrintCtrl::setWmax(int wmax) {
return m_pc->setWmax(wmax);
}
}

178
Cantera/src/base/LogPrintCtrl.h Normal file
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@ -0,0 +1,178 @@
/**
* @file LogPrintCtrl.h
* Declarations for a simple class that augments the logfile printing capabilities
* (see \ref Cantera::LogPrintCtrl).
*/
/*
* $Author$
* $Revision$
* $Date$
*/
/*
* Copywrite 2004 Sandia Corporation. Under the terms of Contract
* DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
* retains certain rights in this software.
* See file License.txt for licensing information.
*/
#ifndef CT_LOGPRINTCTRL_H
#define CT_LOGPRINTCTRL_H
#include <sstream>
#include "PrintCtrl.h"
namespace Cantera {
//! This class provides some printing and cropping utilities
//! for writing to the logfile.
/*!
* This class writes its output to Cantera's logfile
* utility. It's a wrapper around PrintCtrl object.
* First, we direct PrintCtrl to write to a string
* and then we redirect the string to the logfile utility.
* This is a first cut, and it's pretty much a kluge.
* The logfile utility, however, demands a string, and this
* is what I came up with.
*
* @ingroup globalUtilFuncs
*
*/
class LogPrintCtrl {
public:
//! Constructor
/*!
* This also serves to initialize the ticks within the object
*
* @param coutProxy This is a reference to the ostream
* to use for all IO from ths object.
* @param Ndec value of Ndec. Defaults to -1000, i.e.,
* no decade cropping
*/
LogPrintCtrl(int Ndec = -1000);
//! Destructor
~LogPrintCtrl();
//! Print a double using scientific notation
/*!
* Prints a double using scientific notation in a
* fixed number of spaces.
*
* The precision of the number will be adjusted to
* fit into the maximum space.
*
* @param d double to be printed
* @param sigDigits Number of significant digits
* (-1 = default, means to use the default
* number for the object, which is initially
* set to 13.
* @param wMin Minimum number of spaces to print out
* @param wMax Maximum number of spaces to print out
*/
void pr_de(const double d, int sigDigits = -1,
const int wMin = -1, const int wMax = -1);
//! Print a double using scientific notation cropping
//! decade values
/*!
* Prints a double using scientific notation in a
* fixed number of spaces. This routine also crops
* number below the default decade level.
*
* The precision of the number will be adjusted to
* fit into the maximum space.
*
* @param d double to be printed
* @param sigDigits Number of significant digits
* (-1 = default, means to use the default
* number for the object, which is initially
* set to 13.
* @param wMin Minimum number of spaces to print out
* @param wMax Maximum number of spaces to print out
*/
void pr_de_c10(const double d, int sigDigits = -1,
const int wMin = -1, const int wMax = -1);
//! Crop a double at a certain number of significant digits
/*!
* This routine will crop a floating point number at a certain
* number of significant digits. Note, it does
* rounding up of the last digit.
*
* @param d Double to be cropped
* @param sigDigits Number of significant digits
* example:
* d = 1.0305E-15;
* nsig = 3;
* This routine will return 1.03E-15
*/
double cropSigDigits(const double d, int sigDigits) const;
//! Crop a double at a certain decade level
/*!
* This routine will crop a floating point number at a certain
* decade lvl. In other words everything below a power of 10^Ndec
* will be deleted.
* Note, it does rounding up of the last digit.
*
* @param d Double to be cropped
* @param nDecades Number of significant digits
* example:
* d = 1.1305E-15;
* nDecades = -16;
* This routine will return 1.1E-15
*
* d = 8.0E-17
* nDecades = -16
* This routine will return 0.0
*/
double cropAbs10(const double d, const int nDecades) const;
//! Set the default value of N decade
/*!
* @param nDecades new value of Ndec
*
* @return returns the old value of Ndec
*/
int setNdec(int nDecades);
//! Set the default significant digits to output
/*!
* @param sigDigits new value of the sig digits
*
* @return returns the old value of Ndec
*/
int setSigDigits(int sigDigits);
//! Set the default minimum width
/*!
* @param wMin Default minimum width
*
* @return returns the old default
*/
int setWmin(int wMin);
//! Set the default maximum width
/*!
* @param wMax Default maximum width
*
* @return returns the old default
*/
int setWmax(int wMax);
private:
std::ostringstream m_os;
std::ostream *m_ffss;
PrintCtrl *m_pc;
};
}
#endif

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

@ -26,11 +26,13 @@ PIC_FLAG=@PIC@
CXX_FLAGS = @CXXFLAGS@ $(LOCAL_DEFS) $(CXX_OPT) $(PIC_FLAG) $(DEBUG_FLAG)
BASE_OBJ = ct2ctml.o ctml.o misc.o plots.o stringUtils.o xml.o clockWC.o
BASE_OBJ = ct2ctml.o ctml.o misc.o plots.o stringUtils.o xml.o clockWC.o\
PrintCtrl.o LogPrintCtrl.o
BASE_H = ct_defs.h ctexceptions.h logger.h XML_Writer.h \
ctml.h plots.h stringUtils.h xml.h config.h utilities.h \
Array.h vec_functions.h global.h FactoryBase.h clockWC.h
Array.h vec_functions.h global.h FactoryBase.h clockWC.h \
PrintCtrl.h LogPrintCtrl.h
CXX_INCLUDES = -I. @CXX_INCLUDES@
LIB = @buildlib@/libctbase.a

248
Cantera/src/base/PrintCtrl.cpp Normal file
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@ -0,0 +1,248 @@
/**
* @file PrintCtrl.cpp
* Definitions for a simple class that augments the streams printing capabilities
* (see \ref Cantera::PrintCtrl).
*/
/*
* $Author$
* $Revision$
* $Date$
*/
/*
* Copywrite 2004 Sandia Corporation. Under the terms of Contract
* DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
* retains certain rights in this software.
* See file License.txt for licensing information.
*/
#include <cmath>
#include <iostream>
#include <fstream>
#include "PrintCtrl.h"
using namespace std;
namespace Cantera {
PrintCtrl::PrintCtrl(std::ostream &coutProxy, int Ndec) :
m_cout(coutProxy),
m_Ndec(Ndec),
m_precision(12),
m_wMin(9),
m_wMax(19)
{
}
// Print a double using scientific notation
/*
* Prints a double using scientific notation in a
* fixed number of spaces
*
*
* @param d double to be printed
* @param w Number of spaces to use
* @param p Precision
*
*
*/
void PrintCtrl::pr_de_c10(const double din, int p, const int wMin,
const int wMax) {
double d = cropAbs10(din, m_Ndec);
pr_de(d, p, wMin, wMax);
}
// Print a double using scientific notation
/*
* Prints a double using scientific notation in a
* fixed number of spaces. Rounding of the last digit is carried out
* by the standard c++ printing utilities.
*
* @param d double to be printed
* @param w Number of spaces to use
* @param p Precision
*/
void PrintCtrl::pr_de(const double d, int sigDigIn, const int wMinIn,
const int wMaxIn) {
int p = m_precision;
if (sigDigIn != -1) {
p = sigDigIn-1;
if (p < 0) p = 0;
}
int wMin = m_wMin;
if (wMinIn != -1) {
wMin = wMinIn;
if (wMin < 1) wMin = 1;
}
int wMax = m_wMax;
if (wMaxIn != -1) {
wMax = wMaxIn;
if (wMax < 1) wMax = 1;
}
if (wMin > wMax) wMax = wMin;
// Have to do the wMax ourselves, since C++ doesn't seem to
// have a streams manipulator to do this !?!
double dfabs = fabs(d);
// This is the normal length assuming no sign and an 1.0E+04
// formated exponented
int requestedLength = 6 + p;
if (d < 0.0) {
requestedLength++;
}
if (dfabs < 9.9999999999E-99) {
requestedLength++;
}
if (dfabs > 9.9999999999E99) {
requestedLength++;
}
if (requestedLength > wMax) {
p -= (requestedLength - wMax);
if (p < 0) p = 0;
}
// Set to upper case and scientific notation
m_cout.setf(ios_base::scientific | ios_base::uppercase);
int wold = m_cout.width(wMin);
int pold = m_cout.precision(p);
m_cout << d;
// Return the precision to the previous value;
m_cout.precision(pold);
m_cout.unsetf(ios_base::scientific);
// Return width to original
m_cout.width(wold);
}
// Croup a double at a certain decade level
/*
* This routine will crop a floating point number at a certain
* decade lvl. In other words everything below a power of 10^Ndec
* will be deleted.
* Note, it currently does not do rounding of the last digit.
*
* @param d Double to be cropped
* @param nSig Number of significant digits
* example:
* d = 1.1305E-15;
* Ndec = -16;
* This routine will return 1.1E-15
*
* d = 8.0E-17
* Ndec = -16
* This routine will return 0.0
*/
double PrintCtrl::cropAbs10(const double d, int Ndec) const {
if (Ndec < -301 || Ndec > 301) {
return d;
}
double sgn = 1.0;
if (d < 0.0) sgn = -1.0;
double dfabs = fabs(d);
double pdec = pow(10.0, (double) Ndec);
if (dfabs < pdec) {
return 0.0;
}
double dl10 = log10(dfabs);
int N10 = (int) dl10;
if (dl10 > -0.0) {
N10 += 1;
}
int nsig = N10 - Ndec;
double retn = cropSigDigits(d, nsig);
return retn;
}
// Crop a double at a certain number of significant digits
/*
* This routine will crop a floating point number at a certain
* number of significant digits. Note, it currently does
* rounding up of the last digit.
*
* example:
* d = 1.0305E-15;
* nsig = 3;
* This routine will return 1.03E-15
*/
double PrintCtrl::cropSigDigits(const double d, int nSig) const {
if (nSig <=0) nSig = 1;
if (nSig >=10) nSig = 10;
double sgn = 1.0;
if (d < 0.0) sgn = -1.0;
double dfabs = fabs(d);
double dl10 = log10(dfabs);
int N10 = (int) dl10;
if (dl10 > -0.0) {
N10 += 1;
}
int E10 = -N10 + nSig ;
double pfabs = dfabs * pow(10.0, (double) E10);
pfabs *= (1.0 + 1.0E-14);
long int nfabs = (long int) pfabs;
double remainder = pfabs - nfabs;
if (remainder > 0.5) {
nfabs++;
}
double paltabs = (double) nfabs;
double daltabs = paltabs * pow(10.0, (double) -E10);
return (sgn * daltabs);
}
// Set the default value of N decade
/*
* @param Ndec new value of Ndec
*
* @return returns the old value of Ndec
*/
int PrintCtrl::setNdec(int Ndec) {
int nold = m_Ndec;
m_Ndec = Ndec;
return nold;
}
// Set the default significant digits to output
/*
* @param nSigDigits new value of the sig digits
*
* @return returns the old value of Ndec
*/
int PrintCtrl::setSigDigits(int nSigDigits) {
int nold = m_precision + 1;
m_precision = nSigDigits - 1;
if (m_precision < 0) m_precision = 0;
return nold;
}
// Set the default minimum width
/*
* @param wmin Default minimum width
*
* @return returns the old default
*/
int PrintCtrl::setWmin(int wmin) {
int nold = m_wMin;
m_wMin = wmin;
return nold;
}
// Set the default maximum width
/*
* @param wmin Default maximum width
*
* @return returns the old default
*/
int PrintCtrl::setWmax(int wmax) {
int nold = m_wMax;
m_wMax = wmax;
return nold;
}
}

217
Cantera/src/base/PrintCtrl.h Normal file
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@ -0,0 +1,217 @@
/**
* @file PrintCtrl.h
* Declarations for a simple class that augments the streams printing capabilities
* (see \ref Cantera::PrintCtrl).
*/
/*
* $Author$
* $Revision$
* $Date$
*/
/*
* Copywrite 2004 Sandia Corporation. Under the terms of Contract
* DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government
* retains certain rights in this software.
* See file License.txt for licensing information.
*/
#ifndef CT_PRINTCTRL_H
#define CT_PRINTCTRL_H
#include <iostream>
namespace Cantera {
//! This class provides some printing and cropping utilities
/*!
* The class is used to provide some formatting options for
* printing out real numbers to files and to standard output.
* Specifically, it can make sure that a max and min field
* width is honored when conducting IO of numbers and strings.
* Basically, its the spot to house all wrappers around
* commonly used printing facilities.
*
* It can also handle cropping of numbers below a certain
* decade level. This is useful for IO for testing purposes.
* For example, if you don't care about anything below
* 1.0E-20, you can set up the IO so that it won't print out
* any digits below 1.0E-20, even digits that are in numbers
* greater than 1.0E-20. In other words the number
*
* 1.12345E-19
*
* whould be cropped to the value
*
* 1.1000E-19
*
* The class wraps aroud a single std::ostream class. It's
* cropping functions are also available as a "double"
* conversion utility.
*
*
* @ingroup globalUtilFuncs
*
*/
class PrintCtrl {
public:
//! Constructor
/*!
* This also serves to initialize the ticks within the object
*
* @param coutProxy This is a reference to the ostream
* to use for all IO from ths object.
* @param Ndec value of Ndec. Defaults to -1000, i.e.,
* no decade cropping
*/
PrintCtrl(std::ostream &coutProxy = std::cout, int Ndec = -1000);
//! Print a double using scientific notation
/*!
* Prints a double using scientific notation in a
* fixed number of spaces.
*
* The precision of the number will be adjusted to
* fit into the maximum space.
*
* @param d double to be printed
* @param sigDigits Number of significant digits
* (-1 = default, means to use the default
* number for the object, which is initially
* set to 13.
* @param wMin Minimum number of spaces to print out
* @param wMax Maximum number of spaces to print out
*/
void pr_de(const double d, int sigDigits = -1,
const int wMin = -1, const int wMax = -1);
//! Print a double using scientific notation cropping
//! decade values
/*!
* Prints a double using scientific notation in a
* fixed number of spaces. This routine also crops
* number below the default decade level.
*
* The precision of the number will be adjusted to
* fit into the maximum space.
*
* @param d double to be printed
* @param sigDigits Number of significant digits
* (-1 = default, means to use the default
* number for the object, which is initially
* set to 13.
* @param wMin Minimum number of spaces to print out
* @param wMax Maximum number of spaces to print out
*/
void pr_de_c10(const double d, int sigDigits = -1,
const int wMin = -1, const int wMax = -1);
//! Crop a double at a certain number of significant digits
/*!
* This routine will crop a floating point number at a certain
* number of significant digits. Note, it does
* rounding up of the last digit.
*
* @param d Double to be cropped
* @param sigDigits Number of significant digits
* example:
* d = 1.0305E-15;
* nsig = 3;
* This routine will return 1.03E-15
*/
double cropSigDigits(const double d, int sigDigits) const;
//! Crop a double at a certain decade level
/*!
* This routine will crop a floating point number at a certain
* decade lvl. In other words everything below a power of 10^Ndec
* will be deleted.
* Note, it does rounding up of the last digit.
*
* @param d Double to be cropped
* @param nDecades Number of significant digits
* example:
* d = 1.1305E-15;
* nDecades = -16;
* This routine will return 1.1E-15
*
* d = 8.0E-17
* nDecades = -16
* This routine will return 0.0
*/
double cropAbs10(const double d, const int nDecades) const;
//! Set the default value of N decade
/*!
* @param nDecades new value of Ndec
*
* @return returns the old value of Ndec
*/
int setNdec(int nDecades);
//! Set the default significant digits to output
/*!
* @param sigDigits new value of the sig digits
*
* @return returns the old value of Ndec
*/
int setSigDigits(int sigDigits);
//! Set the default minimum width
/*!
* @param wMin Default minimum width
*
* @return returns the old default
*/
int setWmin(int wMin);
//! Set the default maximum width
/*!
* @param wMax Default maximum width
*
* @return returns the old default
*/
int setWmax(int wMax);
private:
//! This is the ostream to send all output from the object
/*!
* It defaults to cout
*/
std::ostream &m_cout;
//! Default decade level to use for decade cropping
/*!
* This is initially set to -1000, which means that
* no cropping will be carried out
*/
int m_Ndec;
//! default precision level to use in printing
/*!
* This actually is one less than the number of significant digits.
*
* Initially set to 12
*/
int m_precision;
//! default minimimum field width
/*!
* Initially, this is set to 9
*/
int m_wMin;
//! Default maximum field width
/*!
* Initially this is set to 19
*/
int m_wMax;
};
}
#endif

7
Cantera/src/base/global.h
View file

@ -300,6 +300,13 @@ namespace Cantera {
*/
void writelogf(const char* fmt,...);
//! Write an end of line character to the screen and flush output
/*!
* Some implementations differentiate between \n and endl in
* terms of when the output is flushed.
*/
void writelogendl();
//! Write an error message and terminate execution.
/*!
* @param msg Error message to be written to the screen.

9
Cantera/src/base/logger.h
View file

@ -59,6 +59,15 @@ namespace Cantera {
std::cout << msg;
}
//! Write an end of line character and flush output.
/*!
* Some systems treat endl and \n differently. The endl
* statement causes a flushing of stdout to the screen.
*/
virtual void writeendl() {
std::cout << std::endl;
}
//! Write an error message and quit.
/*!
* The default behavior is

25
Cantera/src/base/misc.cpp
View file

@ -257,7 +257,7 @@ namespace Cantera {
*
* @ingroup errorhandling
*/
void logErrors() ;
void logErrors();
//! Write a message to the screen.
/*!
@ -268,7 +268,10 @@ namespace Cantera {
* @param msg c++ string to be written to the screen
* @ingroup textlogs
*/
void writelog(const std::string& msg) ;
void writelog(const std::string& msg);
//! Write an end of line and flush output
void writelogendl();
//! Write a message to the screen.
/*!
@ -697,6 +700,13 @@ namespace Cantera {
*/
void writelog(const std::string& msg) { pMessenger->writelog(msg); }
//! Write an endl to the screen and flush output
/*!
* @ingroup textlogs
*/
void writelogendl() { pMessenger->writelogendl(); }
//! Write a message to the screen.
/*!
* The string may be of any
@ -1513,7 +1523,12 @@ protected:
void Application::Messages::writelog(const char* pszmsg) {
logwriter->write( pszmsg ) ;
}
// Write an endl to the screen and flush output
void Application::Messages::writelogendl() {
logwriter->writeendl();
}
// Write a message to the screen using printf format
void writelogf(const char* fmt,...) {
enum { BUFSIZE = 2048 } ;
@ -1534,6 +1549,10 @@ protected:
va_end(args) ;
}
void writelogendl() {
app()->writelogendl();
}
// Write an error message and terminate execution. test.
// @ingroup textlogs
void error(const std::string& msg) {

1
Cantera/src/equil/vcs_internal.h
View file

@ -31,6 +31,7 @@ namespace VCSnonideal {
* We can replace this with printf easily
*/
#define plogf Cantera::writelogf
#define plogendl() Cantera::writelogendl()
//! Global hook for turning on and off time printing.
/*!

97
Cantera/src/equil/vcs_solve_TP.cpp
View file

@ -302,15 +302,16 @@ namespace VCSnonideal {
} else {
plogf(" Unknown");
}
plogf(" \n");
plogendl();
}
}
for (i = 0; i < m_numSpeciesTot; ++i) {
if (soln[i] < 0.0) {
plogf("On Input species %-12s has a "
"negative MF, setting it small\n",
SpName[i].c_str());
"negative MF, setting it small",
SpName[i].c_str());
plogendl();
soln[i] = VCS_DELETE_SPECIES_CUTOFF;
}
}
@ -366,7 +367,8 @@ namespace VCSnonideal {
#ifdef DEBUG_MODE
if (vcs_debug_print_lvl >= 2) {
plogf(" --- Minor species changed to major: ");
plogf("%-12s\n", SpName[kspec].c_str());
plogf("%-12s", SpName[kspec].c_str());
plogendl();
}
#endif
}
@ -379,7 +381,8 @@ namespace VCSnonideal {
if (! vcs_elabcheck(0)) {
#ifdef DEBUG_MODE
if (vcs_debug_print_lvl >= 2) {
plogf(" --- Element Abundance check failed\n");
plogf(" --- Element Abundance check failed");
plogendl();
}
#endif
vcs_elcorr(VCS_DATA_PTR(sm), VCS_DATA_PTR(wx));
@ -388,7 +391,8 @@ namespace VCSnonideal {
#ifdef DEBUG_MODE
else {
if (vcs_debug_print_lvl >= 2) {
plogf(" --- Element Abundance check passed\n");
plogf(" --- Element Abundance check passed");
plogendl();
}
}
#endif
@ -652,9 +656,10 @@ namespace VCSnonideal {
sprintf(ANOTE,"minor species not considered");
if (vcs_debug_print_lvl >= 2) {
plogf(" --- "); plogf("%-12s", SpName[kspec].c_str());
plogf("%3d%11.4E%11.4E%11.4E | %s\n",
plogf("%3d%11.4E%11.4E%11.4E | %s",
spStatus[irxn], soln[kspec], wt[kspec],
ds[kspec], ANOTE);
plogendl();
}
#endif
continue;
@ -686,8 +691,9 @@ namespace VCSnonideal {
/*******************************************************************/
#ifdef DEBUG_MODE
if (vcs_debug_print_lvl >= 2) {
plogf(" --- Delete minor species in multispec phase: %-12s\n",
plogf(" --- Delete minor species in multispec phase: %-12s",
SpName[kspec].c_str());
plogendl();
}
#endif
ds[kspec] = 0.0;
@ -734,9 +740,10 @@ namespace VCSnonideal {
sprintf(ANOTE, "major species is converged");
if (vcs_debug_print_lvl >= 2) {
plogf(" --- "); plogf("%-12s", SpName[kspec].c_str());
plogf("%3d%11.4E%11.4E%11.4E | %s\n",
plogf("%3d%11.4E%11.4E%11.4E | %s",
spStatus[irxn], soln[kspec], wt[kspec],
ds[kspec], ANOTE);
plogendl();
}
#endif
continue;
@ -810,7 +817,8 @@ namespace VCSnonideal {
#ifdef DEBUG_MODE
if (vcs_debug_print_lvl >= 2) {
plogf(" --- Major species changed to minor: ");
plogf("%-12s\n", SpName[kspec].c_str());
plogf("%-12s", SpName[kspec].c_str());
plogendl();
}
#endif
spStatus[irxn] = VCS_SPECIES_MINOR;
@ -904,7 +912,8 @@ namespace VCSnonideal {
if (vcs_debug_print_lvl >= 2) {
if (spStatus[irxn] >= 0) {
plogf(" --- SS species changed to zeroedss: ");
plogf("%-12s\n", SpName[kspec].c_str());
plogf("%-12s", SpName[kspec].c_str());
plogendl();
}
}
#endif
@ -950,7 +959,8 @@ namespace VCSnonideal {
#ifdef DEBUG_MODE
if (fabs(ds[kspec] -dx) > 1.0E-14*(fabs(ds[kspec]) + fabs(dx) + 1.0E-32)) {
plogf(" ds[kspec] = %20.16g dx = %20.16g , kspec = %d\n", ds[kspec], dx, kspec);
plogf("we have a problem!\n");
plogf("we have a problem!");
plogendl();
exit(-1);
}
#endif
@ -980,9 +990,10 @@ namespace VCSnonideal {
if (vcs_debug_print_lvl >= 2) {
wt[kspec] = soln[kspec] + ds[kspec];
plogf(" --- "); plogf("%-12.12s", SpName[kspec].c_str());
plogf("%3d%11.4E%11.4E%11.4E | %s\n",
plogf("%3d%11.4E%11.4E%11.4E | %s",
spStatus[irxn], soln[kspec], wt[kspec],
ds[kspec], ANOTE);
plogendl();
}
L_MAIN_LOOP_END_NO_PRINT: ;
#endif
@ -992,11 +1003,13 @@ namespace VCSnonideal {
if (vcs_debug_print_lvl >= 2) {
for (k = 0; k < m_numComponents; k++) {
plogf(" --- "); plogf("%-12.12s", SpName[k].c_str());
plogf(" c%11.4E%11.4E%11.4E |\n",
plogf(" c%11.4E%11.4E%11.4E |",
soln[k], soln[k]+ds[k], ds[k]);
}
plogendl();
plogf(" "); vcs_print_line("-", 80);
plogf(" --- Finished Main Loop\n");
plogf(" --- Finished Main Loop");
plogendl();
}
#endif
/*************************************************************************/
@ -1036,7 +1049,8 @@ namespace VCSnonideal {
if (vcs_debug_print_lvl >= 2) {
plogf(" --- Reduction in step size due to component ");
plogf("%s", SpName[ll].c_str());
plogf(" going negative = %11.3E\n", par);
plogf(" going negative = %11.3E", par);
plogendl();
}
#endif
for (i = 0; i < m_numSpeciesTot; ++i) {
@ -1061,8 +1075,9 @@ namespace VCSnonideal {
for (kspec = 0; kspec < m_numSpeciesTot; ++kspec) {
wt[kspec] = soln[kspec] + ds[kspec];
if (wt[kspec] < 0.0 && (SpeciesUnknownType[kspec] != VCS_SPECIES_TYPE_INTERFACIALVOLTAGE)) {
plogf("vcs_solve_TP: ERROR on step change wt[%d:%s]: %g < 0.0\n",
plogf("vcs_solve_TP: ERROR on step change wt[%d:%s]: %g < 0.0",
kspec, SpName[kspec].c_str(), wt[kspec]);
plogendl();
exit(-1);
}
}
@ -1141,9 +1156,10 @@ namespace VCSnonideal {
dgl[l1], dg[l1]);
}
plogf(" ---"); print_space(56);
plogf("Norms of Delta G():%14.6E%14.6E\n",
plogf("Norms of Delta G():%14.6E%14.6E",
l2normdg(VCS_DATA_PTR(dgl)),
l2normdg(VCS_DATA_PTR(dg)));
plogendl();
plogf(" --- Phase_Name Moles(after update)\n");
plogf(" --- "); vcs_print_line("-", 50);
@ -1152,11 +1168,13 @@ namespace VCSnonideal {
plogf(" --- %18s = %15.7E\n", Vphase->PhaseName.c_str(), TPhMoles1[iph]);
}
plogf(" "); vcs_print_line("-", 103);
plogf(" --- Total Dimensionless Gibbs Free Energy = %15.7E\n",
plogf(" --- Total Dimensionless Gibbs Free Energy = %15.7E",
vcs_Total_Gibbs(VCS_DATA_PTR(wt), VCS_DATA_PTR(m_gibbsSpecies),
VCS_DATA_PTR(TPhMoles1)));
plogendl();
if (m_VCount->Its > 150) {
plogf(" --- Troublesome solve\n");
plogf(" --- Troublesome solve");
plogendl();
}
#ifdef DEBUG_MODE
#ifdef DEBUG_NOT
@ -1227,7 +1245,8 @@ namespace VCSnonideal {
plogf(" Total Dimensionless Gibbs Free Energy = %15.7E\n",
vcs_Total_Gibbs(VCS_DATA_PTR(soln), VCS_DATA_PTR(m_gibbsSpecies),
VCS_DATA_PTR(TPhMoles)));
plogf(" -----------------------------------------------------\n");
plogf(" -----------------------------------------------------");
plogendl();
}
/*************************************************************************/
/******************* RESET VALUES AT END OF ITERATION ********************/
@ -1300,7 +1319,8 @@ namespace VCSnonideal {
if (soldel) {
#ifdef DEBUG_MODE
if (vcs_debug_print_lvl >= 1) {
plogf(" --- Setting microscopic phase %d to zero\n", iph);
plogf(" --- Setting microscopic phase %d to zero", iph);
plogendl();
}
#endif
justDeletedMultiPhase = TRUE;
@ -1332,7 +1352,8 @@ namespace VCSnonideal {
*/
plogf(" DELETION OF MULTISPECIES PHASE. ");
plogf("Convergence to number of positive n(i) less than C.\n");
plogf("Check results to follow carefully. \n\n");
plogf("Check results to follow carefully. \n");
plogendl();
goto L_RETURN_BLOCK;
}
}
@ -1348,7 +1369,8 @@ namespace VCSnonideal {
if (! vcs_elabcheck(0)) {
#ifdef DEBUG_MODE
if (vcs_debug_print_lvl >= 2) {
plogf(" - failed -> redoing element abundances.\n");
plogf(" - failed -> redoing element abundances.");
plogendl();
}
#endif
vcs_elcorr(VCS_DATA_PTR(sm), VCS_DATA_PTR(wx));
@ -1359,7 +1381,8 @@ namespace VCSnonideal {
#ifdef DEBUG_MODE
else {
if (vcs_debug_print_lvl >= 2) {
plogf(" - passed\n");
plogf(" - passed");
plogendl();
}
}
#endif
@ -1395,8 +1418,9 @@ namespace VCSnonideal {
if (vcs_debug_print_lvl >= 2) {
plogf(" --- Get a new basis because %s", SpName[l].c_str());
plogf(" is larger than comp %s", SpName[j].c_str());
plogf(" and share nonzero stoic: %-9.1f\n",
plogf(" and share nonzero stoic: %-9.1f",
sc[i][j]);
plogendl();
}
#endif
goto L_COMPONENT_CALC;
@ -1413,8 +1437,9 @@ namespace VCSnonideal {
if (vcs_debug_print_lvl >= 2) {
plogf(" --- Get a new basis because %s", SpName[l].c_str());
plogf(" has dg < 0.0 and comp %s has zero mole num", SpName[j].c_str());
plogf(" and share nonzero stoic: %-9.1f\n",
plogf(" and share nonzero stoic: %-9.1f",
sc[i][j]);
plogendl();
}
#endif
goto L_COMPONENT_CALC;
@ -1437,8 +1462,9 @@ namespace VCSnonideal {
plogf("%s", SpName[l].c_str());
plogf(" is larger than comp ");
plogf("%s", SpName[j].c_str());
plogf(" and share nonzero stoic: %-9.1f\n",
plogf(" and share nonzero stoic: %-9.1f",
sc[i][j]);
plogendl();
}
#endif
goto L_COMPONENT_CALC;
@ -1453,8 +1479,9 @@ namespace VCSnonideal {
if (vcs_debug_print_lvl >= 2) {
plogf(" --- Get a new basis because %s", SpName[l].c_str());
plogf(" has dg < 0.0 and comp %s has zero mole num", SpName[j].c_str());
plogf(" and share nonzero stoic: %-9.1f\n",
plogf(" and share nonzero stoic: %-9.1f",
sc[i][j]);
plogendl();
}
#endif
goto L_COMPONENT_CALC;
@ -1468,7 +1495,8 @@ namespace VCSnonideal {
}
#ifdef DEBUG_MODE
if (vcs_debug_print_lvl >= 2) {
plogf(" --- Check for an optimum basis passed\n");
plogf(" --- Check for an optimum basis passed");
plogendl();
}
#endif
/*************************************************************************/
@ -1588,7 +1616,8 @@ namespace VCSnonideal {
}
#ifdef DEBUG_MODE
if (vcs_debug_print_lvl >= 2) {
plogf(" MAJOR SPECIES CONVERGENCE achieved\n");
plogf(" MAJOR SPECIES CONVERGENCE achieved");
plogendl();
}
#endif
}
@ -1596,7 +1625,8 @@ namespace VCSnonideal {
else {
if (vcs_debug_print_lvl >= 2) {
plogf(" MAJOR SPECIES CONVERGENCE achieved "
"(because there are no major species)\n");
"(because there are no major species)");
plogendl();
}
}
#endif
@ -1772,7 +1802,8 @@ namespace VCSnonideal {
plogf(" --- vcs_solve_tp: RANGE SPACE ERROR ENCOUNTERED\n");
plogf(" --- vcs_solve_tp: - Giving up on NE Element Abundance satisfaction \n");
plogf(" --- vcs_solve_tp: - However, NC Element Abundance criteria is satisfied \n");
plogf(" --- vcs_solve_tp: - Returning the calculated equilibrium condition \n");
plogf(" --- vcs_solve_tp: - Returning the calculated equilibrium condition ");
plogendl();
}
#endif
rangeErrorFound = 1;

2
Cantera/src/equil/vcs_util.cpp
View file

@ -390,7 +390,7 @@ namespace VCSnonideal {
if (string) {
for (int j = 0; j < num; j++) plogf("%s", string);
}
plogf("\n");
plogendl();
}
/***************************************************************************/

1
Cantera/src/numerics/DAE_solvers.cpp
View file

@ -2,6 +2,7 @@
#include "ct_defs.h"
#include "DAE_Solver.h"
// DAE_DEVEL is turned off at the current time
#ifdef DAE_DEVEL
#ifdef HAS_SUNDIALS

2
Cantera/src/numerics/IDA_Solver.cpp
View file

@ -210,7 +210,7 @@ namespace Cantera {
// pass a pointer to func in m_data
m_fdata = new FuncData(&func, func.nparams());
m_fdata = new ResidData(&func, func.nparams());
flag = IDASetRdata(m_ida_mem, (void*)m_fdata);
if (flag != IDA_SUCCESS)

3
Cantera/src/numerics/IDA_Solver.h
View file

@ -28,7 +28,7 @@ namespace Cantera {
*/
class IDA_Err : public CanteraError {
public:
IDA_Err(std::string msg) : CanteraError("IDA_Solver", msg){}
IDA_Err(std::string msg) : CanteraError("IDA_Solver", msg){}
};
@ -60,7 +60,6 @@ namespace Cantera {
virtual void setBandedLinearSolver(int m_upper, int m_lower);
virtual void setMaxTime(doublereal tmax);
virtual void setMaxStepSize(doublereal dtmax);
virtual void setMaxOrder(int n);

3
Cantera/src/transport/SolidTransport.h
View file

@ -44,8 +44,7 @@ namespace Cantera {
class SolidTransport : public Transport {
public:
virtual ~SolidTransport() {}
virtual ~SolidTransport() {}
virtual int model() { return cSolidTransport; }