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Merge cf97245 into 6d2760b
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@ischoegl
ischoegl authored Oct 20, 2021
2 parents 6d2760b + cf97245 commit 6798c57
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Showing 10 changed files with 168 additions and 141 deletions.
11 changes: 11 additions & 0 deletions include/cantera/base/fmt.h
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Original file line number Diff line number Diff line change
Expand Up @@ -38,7 +38,18 @@ void format_to(fmt::memory_buffer& b, Args... args) {
inline std::string to_string(fmt::memory_buffer& b) {
return b.str();
}
#endif

#if !defined(FMT_VERSION) || FMT_VERSION < 80000
template <typename... Args>
void fmt_append(fmt::memory_buffer& b, Args... args) {
format_to(b, args...);
}
#else
template <typename... Args>
void fmt_append(fmt::memory_buffer& b, Args... args) {
format_to(fmt::appender(b), args...);
}
#endif

#endif
29 changes: 14 additions & 15 deletions src/base/AnyMap.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -1395,11 +1395,11 @@ std::string AnyMap::keys_str() const
fmt::memory_buffer b;
auto iter = this->begin();
if (iter != this->end()) {
format_to(b, "{}", iter->first);
fmt_append(b, "{}", iter->first);
++iter;
}
while (iter != this->end()) {
format_to(b, ", {}", iter->first);
fmt_append(b, ", {}", iter->first);
++iter;
}
return to_string(b);
Expand Down Expand Up @@ -1758,7 +1758,7 @@ void formatInputFile(fmt::memory_buffer& b, const shared_ptr<AnyMap>& metadata,
column2 = column;
}

format_to(b, "| Line |\n");
fmt_append(b, "| Line |\n");
if (!metadata->hasKey("file-contents")) {
std::ifstream infile(findInputFile(filename));
std::stringstream buffer;
Expand All @@ -1771,15 +1771,15 @@ void formatInputFile(fmt::memory_buffer& b, const shared_ptr<AnyMap>& metadata,
std::stringstream contents((*metadata)["file-contents"].asString());
while (std::getline(contents, line)) {
if (i == lineno || i == lineno2) {
format_to(b, "> {: 5d} > {}\n", i+1, line);
format_to(b, "{:>{}}\n", "^", column + 11);
fmt_append(b, "> {: 5d} > {}\n", i+1, line);
fmt_append(b, "{:>{}}\n", "^", column + 11);
lastShown = i;
} else if ((lineno + 4 > i && lineno < i + 6) ||
(lineno2 + 4 > i && lineno2 < i + 6)) {
if (lastShown >= 0 && i - lastShown > 1) {
format_to(b, "...\n");
fmt_append(b, "...\n");
}
format_to(b, "| {: 5d} | {}\n", i+1, line);
fmt_append(b, "| {: 5d} | {}\n", i+1, line);
lastShown = i;
}
i++;
Expand All @@ -1797,7 +1797,7 @@ std::string InputFileError::formatError(const std::string& message,
std::string filename = metadata->getString("filename", "input string");

fmt::memory_buffer b;
format_to(b, "Error on line {} of {}:\n{}\n", lineno+1, filename, message);
fmt_append(b, "Error on line {} of {}:\n{}\n", lineno+1, filename, message);
formatInputFile(b, metadata, filename, lineno, column);
return to_string(b);
}
Expand All @@ -1816,16 +1816,15 @@ std::string InputFileError::formatError2(const std::string& message,

fmt::memory_buffer b;
if (filename1 == filename2) {
format_to(b, "Error on lines {} and {} of {}:\n",
std::min(line1, line2) + 1, std::max(line1, line2) + 1,
filename1);
format_to(b, "{}\n", message);
fmt_append(b, "Error on lines {} and {} of {}:\n",
std::min(line1, line2) + 1, std::max(line1, line2) + 1, filename1);
fmt_append(b, "{}\n", message);
formatInputFile(b, metadata1, filename1, line1, column1, line2, column2);
} else {
format_to(b, "Error on line {} of {} and line {} of {}:\n{}\n",
line1+1, filename1, line2+1, filename2, message);
fmt_append(b, "Error on line {} of {} and line {} of {}:\n{}\n",
line1+1, filename1, line2+1, filename2, message);
formatInputFile(b, metadata1, filename1, line1, column1);
format_to(b, "\n");
fmt_append(b, "\n");
formatInputFile(b, metadata2, filename2, line2, column2);
}

Expand Down
4 changes: 2 additions & 2 deletions src/kinetics/KineticsFactory.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -177,7 +177,7 @@ void addReactions(Kinetics& kin, const AnyMap& phaseNode, const AnyMap& rootNode
try {
kin.addReaction(newReaction(R, kin), false);
} catch (CanteraError& err) {
format_to(add_rxn_err, "{}", err.what());
fmt_append(add_rxn_err, "{}", err.what());
}
}
} else {
Expand All @@ -187,7 +187,7 @@ void addReactions(Kinetics& kin, const AnyMap& phaseNode, const AnyMap& rootNode
try {
kin.addReaction(newReaction(R, kin), false);
} catch (CanteraError& err) {
format_to(add_rxn_err, "{}", err.what());
fmt_append(add_rxn_err, "{}", err.what());
}
#else
kin.addReaction(newReaction(R, kin), false);
Expand Down
8 changes: 4 additions & 4 deletions src/kinetics/RxnRates.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -259,10 +259,10 @@ void Plog::validate(const std::string& equation)
k += rates_.at(p).updateRC(log(T[i]), 1.0/T[i]);
}
if (k < 0) {
format_to(err_reactions,
"\nInvalid rate coefficient for reaction '{}'\n"
"at P = {:.5g}, T = {:.1f}\n",
equation, std::exp(iter->first), T[i]);
fmt_append(err_reactions,
"\nInvalid rate coefficient for reaction '{}'\n"
"at P = {:.5g}, T = {:.1f}\n",
equation, std::exp(iter->first), T[i]);
}
}
}
Expand Down
4 changes: 2 additions & 2 deletions src/numerics/CVodesIntegrator.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -568,8 +568,8 @@ string CVodesIntegrator::getErrorInfo(int N)
sort(weightedErrors.begin(), weightedErrors.end());
fmt::memory_buffer s;
for (int i=0; i<N; i++) {
format_to(s, "{}: {}\n",
get<2>(weightedErrors[i]), get<1>(weightedErrors[i]));
fmt_append(s, "{}: {}\n",
get<2>(weightedErrors[i]), get<1>(weightedErrors[i]));
}
return to_string(s);
}
Expand Down
85 changes: 44 additions & 41 deletions src/thermo/MolalityVPSSTP.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -381,16 +381,16 @@ std::string MolalityVPSSTP::report(bool show_thermo, doublereal threshold) const
fmt::memory_buffer b;
try {
if (name() != "") {
format_to(b, "\n {}:\n", name());
fmt_append(b, "\n {}:\n", name());
}
format_to(b, "\n");
format_to(b, " temperature {:12.6g} K\n", temperature());
format_to(b, " pressure {:12.6g} Pa\n", pressure());
format_to(b, " density {:12.6g} kg/m^3\n", density());
format_to(b, " mean mol. weight {:12.6g} amu\n", meanMolecularWeight());
fmt_append(b, "\n");
fmt_append(b, " temperature {:12.6g} K\n", temperature());
fmt_append(b, " pressure {:12.6g} Pa\n", pressure());
fmt_append(b, " density {:12.6g} kg/m^3\n", density());
fmt_append(b, " mean mol. weight {:12.6g} amu\n", meanMolecularWeight());

doublereal phi = electricPotential();
format_to(b, " potential {:12.6g} V\n", phi);
fmt_append(b, " potential {:12.6g} V\n", phi);

vector_fp x(m_kk);
vector_fp molal(m_kk);
Expand All @@ -408,63 +408,66 @@ std::string MolalityVPSSTP::report(bool show_thermo, doublereal threshold) const
size_t iHp = speciesIndex("H+");
if (iHp != npos) {
double pH = -log(actMolal[iHp]) / log(10.0);
format_to(b, " pH {:12.4g}\n", pH);
fmt_append(b,
" pH {:12.4g}\n", pH);
}

if (show_thermo) {
format_to(b, "\n");
format_to(b, " 1 kg 1 kmol\n");
format_to(b, " ----------- ------------\n");
format_to(b, " enthalpy {:12.6g} {:12.4g} J\n",
enthalpy_mass(), enthalpy_mole());
format_to(b, " internal energy {:12.6g} {:12.4g} J\n",
intEnergy_mass(), intEnergy_mole());
format_to(b, " entropy {:12.6g} {:12.4g} J/K\n",
entropy_mass(), entropy_mole());
format_to(b, " Gibbs function {:12.6g} {:12.4g} J\n",
gibbs_mass(), gibbs_mole());
format_to(b, " heat capacity c_p {:12.6g} {:12.4g} J/K\n",
cp_mass(), cp_mole());
fmt_append(b, "\n");
fmt_append(b, " 1 kg 1 kmol\n");
fmt_append(b, " ----------- ------------\n");
fmt_append(b, " enthalpy {:12.6g} {:12.4g} J\n",
enthalpy_mass(), enthalpy_mole());
fmt_append(b, " internal energy {:12.6g} {:12.4g} J\n",
intEnergy_mass(), intEnergy_mole());
fmt_append(b, " entropy {:12.6g} {:12.4g} J/K\n",
entropy_mass(), entropy_mole());
fmt_append(b, " Gibbs function {:12.6g} {:12.4g} J\n",
gibbs_mass(), gibbs_mole());
fmt_append(b, " heat capacity c_p {:12.6g} {:12.4g} J/K\n",
cp_mass(), cp_mole());
try {
format_to(b, " heat capacity c_v {:12.6g} {:12.4g} J/K\n",
cv_mass(), cv_mole());
fmt_append(b, " heat capacity c_v {:12.6g} {:12.4g} J/K\n",
cv_mass(), cv_mole());
} catch (NotImplementedError&) {
format_to(b, " heat capacity c_v <not implemented>\n");
fmt_append(b, " heat capacity c_v <not implemented>\n");
}
}

format_to(b, "\n");
fmt_append(b, "\n");
int nMinor = 0;
doublereal xMinor = 0.0;
if (show_thermo) {
format_to(b, " X "
" Molalities Chem.Pot. ChemPotSS ActCoeffMolal\n");
format_to(b, " "
" (J/kmol) (J/kmol)\n");
format_to(b, " ------------- "
" ------------ ------------ ------------ ------------\n");
fmt_append(b, " X "
" Molalities Chem.Pot. ChemPotSS ActCoeffMolal\n");
fmt_append(b, " "
" (J/kmol) (J/kmol)\n");
fmt_append(b, " ------------- "
" ------------ ------------ ------------ ------------\n");
for (size_t k = 0; k < m_kk; k++) {
if (x[k] > threshold) {
if (x[k] > SmallNumber) {
format_to(b, "{:>18s} {:12.6g} {:12.6g} {:12.6g} {:12.6g} {:12.6g}\n",
speciesName(k), x[k], molal[k], mu[k], muss[k], acMolal[k]);
fmt_append(b,
"{:>18s} {:12.6g} {:12.6g} {:12.6g} "
"{:12.6g} {:12.6g}\n", speciesName(k),
x[k], molal[k], mu[k], muss[k], acMolal[k]);
} else {
format_to(b, "{:>18s} {:12.6g} {:12.6g} N/A {:12.6g} {:12.6g}\n",
speciesName(k), x[k], molal[k], muss[k], acMolal[k]);
fmt_append(b,
"{:>18s} {:12.6g} {:12.6g} N/A "
"{:12.6g} {:12.6g}\n", speciesName(k),
x[k], molal[k], muss[k], acMolal[k]);
}
} else {
nMinor++;
xMinor += x[k];
}
}
} else {
format_to(b, " X"
"Molalities\n");
format_to(b, " -------------"
" ------------\n");
fmt_append(b, " X Molalities\n");
fmt_append(b, " ------------- ------------\n");
for (size_t k = 0; k < m_kk; k++) {
if (x[k] > threshold) {
format_to(b, "{:>18s} {:12.6g} {:12.6g}\n",
fmt_append(b, "{:>18s} {:12.6g} {:12.6g}\n",
speciesName(k), x[k], molal[k]);
} else {
nMinor++;
Expand All @@ -473,7 +476,7 @@ std::string MolalityVPSSTP::report(bool show_thermo, doublereal threshold) const
}
}
if (nMinor) {
format_to(b, " [{:+5d} minor] {:12.6g}\n", nMinor, xMinor);
fmt_append(b, " [{:+5d} minor] {:12.6g}\n", nMinor, xMinor);
}
} catch (CanteraError& err) {
return to_string(b) + err.what();
Expand Down
59 changes: 29 additions & 30 deletions src/thermo/PureFluidPhase.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -415,50 +415,49 @@ std::string PureFluidPhase::report(bool show_thermo, doublereal threshold) const

string blank_leader = fmt::format("{:{}}", "", name_width);

string one_property = "{:>{}} {:<.5g} {}\n";
string one_property = fmt::format("{{:>{}}} {{:<.5g}} {{}}\n", name_width);

string two_prop_header = "{} {:^15} {:^15}\n";
string kg_kmol_header = fmt::format(
two_prop_header, blank_leader, "1 kg", "1 kmol"
);
string Y_X_header = fmt::format(
two_prop_header, blank_leader, "mass frac. Y", "mole frac. X"
);
string two_prop_sep = fmt::format(
"{} {:-^15} {:-^15}\n", blank_leader, "", ""
);
string two_property = "{:>{}} {:15.5g} {:15.5g} {}\n";

string three_prop_header = fmt::format(
"{} {:^15} {:^15} {:^15}\n", blank_leader, "mass frac. Y",
"mole frac. X", "chem. pot. / RT"
);
string three_prop_sep = fmt::format(
"{} {:-^15} {:-^15} {:-^15}\n", blank_leader, "", "", ""
string two_property = fmt::format(
"{{:>{}}} {{:15.5g}} {{:15.5g}} {{}}\n", name_width
);
string three_property = "{:>{}} {:15.5g} {:15.5g} {:15.5g}\n";

if (name() != "") {
format_to(b, "\n {}:\n", name());
fmt_append(b, "\n {}:\n", name());
}
format_to(b, "\n");
format_to(b, one_property, "temperature", name_width, temperature(), "K");
format_to(b, one_property, "pressure", name_width, pressure(), "Pa");
format_to(b, one_property, "density", name_width, density(), "kg/m^3");
format_to(b, one_property, "mean mol. weight", name_width, meanMolecularWeight(), "kg/kmol");
format_to(b, "{:>{}} {:<.5g}\n", "vapor fraction", name_width, vaporFraction());
format_to(b, "{:>{}} {}\n", "phase of matter", name_width, phaseOfMatter());
fmt_append(b, "\n");
fmt_append(b, one_property, "temperature", temperature(), "K");
fmt_append(b, one_property, "pressure", pressure(), "Pa");
fmt_append(b, one_property, "density", density(), "kg/m^3");
fmt_append(b, one_property,
"mean mol. weight", meanMolecularWeight(), "kg/kmol");
fmt_append(b, "{:>{}} {:<.5g}\n",
"vapor fraction", name_width, vaporFraction());
fmt_append(b, "{:>{}} {}\n",
"phase of matter", name_width, phaseOfMatter());

if (show_thermo) {
format_to(b, "\n");
format_to(b, kg_kmol_header);
format_to(b, two_prop_sep);
format_to(b, two_property, "enthalpy", name_width, enthalpy_mass(), enthalpy_mole(), "J");
format_to(b, two_property, "internal energy", name_width, intEnergy_mass(), intEnergy_mole(), "J");
format_to(b, two_property, "entropy", name_width, entropy_mass(), entropy_mole(), "J/K");
format_to(b, two_property, "Gibbs function", name_width, gibbs_mass(), gibbs_mole(), "J");
format_to(b, two_property, "heat capacity c_p", name_width, cp_mass(), cp_mole(), "J/K");
format_to(b, two_property, "heat capacity c_v", name_width, cv_mass(), cv_mole(), "J/K");
fmt_append(b, "\n");
fmt_append(b, kg_kmol_header);
fmt_append(b, two_prop_sep);
fmt_append(b, two_property,
"enthalpy", enthalpy_mass(), enthalpy_mole(), "J");
fmt_append(b, two_property,
"internal energy", intEnergy_mass(), intEnergy_mole(), "J");
fmt_append(b, two_property,
"entropy", entropy_mass(), entropy_mole(), "J/K");
fmt_append(b, two_property,
"Gibbs function", gibbs_mass(), gibbs_mole(), "J");
fmt_append(b, two_property,
"heat capacity c_p", cp_mass(), cp_mole(), "J/K");
fmt_append(b, two_property,
"heat capacity c_v", cv_mass(), cv_mole(), "J/K");
}

return to_string(b);
Expand Down
4 changes: 2 additions & 2 deletions src/thermo/RedlichKwongMFTP.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -933,9 +933,9 @@ void RedlichKwongMFTP::updateMixingExpressions()
for (size_t k = 0; k < m_kk; k++) {
if (isnan(b_vec_Curr_[k])) {
if (b.size() > 0) {
format_to(b, ", {}", speciesName(k));
fmt_append(b, ", {}", speciesName(k));
} else {
format_to(b, "{}", speciesName(k));
fmt_append(b, "{}", speciesName(k));
}
}
}
Expand Down
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