From d32a72c568da73edbfa6b49d7eba6fdc0bf20693 Mon Sep 17 00:00:00 2001
From: Yue Wang <yue.wang@iws.uni-stuttgart.de>
Date: Thu, 23 Mar 2023 13:40:33 +0100
Subject: [PATCH] [bin/util] merge two files in make_co2_table
the script generates a directly includable file.
---
bin/util/co2table.hh.template | 198 ++++++++++++++++++++++++++++++++
bin/util/co2values.inc.template | 60 ----------
bin/util/make_co2_table.py | 4 +-
3 files changed, 200 insertions(+), 62 deletions(-)
create mode 100644 bin/util/co2table.hh.template
delete mode 100644 bin/util/co2values.inc.template
diff --git a/bin/util/co2table.hh.template b/bin/util/co2table.hh.template
new file mode 100644
index 0000000000..5c2c9021a9
--- /dev/null
+++ b/bin/util/co2table.hh.template
@@ -0,0 +1,198 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 3 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \ingroup Components
+ * \brief A generic template for tabulated material laws that depend
+ * on two parameters.
+ */
+#ifndef DUMUX_COMPONENTS_CO2_CO2TABLES_HH
+#define DUMUX_COMPONENTS_CO2_CO2TABLES_HH
+
+#include <dune/common/float_cmp.hh>
+
+ /* Tables for CO2 fluid properties calculated according to Span and
+ * Wagner (1996) and using a web service of the National Institute
+ * of Standards and Techlology of the U.S. Department of Commerce:
+ * https://webbook.nist.gov/
+ *
+ * THIS AN AUTO-GENERATED FILE! DO NOT EDIT IT!
+ *
+ ********************************************************************
+
+ In case you are using this the data generated with this script
+ please cite the following publications:
+
+ P.J. Linstrom and W.G. Mallard, Eds.,
+ NIST Chemistry WebBook, NIST Standard Reference Database Number 69,
+ National Institute of Standards and Technology, Gaithersburg MD, 20899,
+ https://doi.org/10.18434/T4D303, (retrieved $DATE).
+
+ Span, Roland, and Wolfgang Wagner.
+ "A new equation of state for carbon dioxide covering
+ the fluid region from the tripleâ€point temperature
+ to 1100 K at pressures up to 800 MPa."
+ Journal of physical and chemical reference data 25.6 (1996): 1509-1596.
+ https://doi.org/10.1063/1.555991
+
+ ********************************************************************
+ *
+ * Generated using:
+ *
+ * ./make_co2_table.py -t1 $MIN_TEMP -t2 $MAX_TEMP -nt $NUM_TEMP_SAMPLES -p1 $MIN_PRESS -p2 $MAX_PRESS -np $NUM_PRESS_SAMPLES
+ */
+
+
+namespace Dumux::GeneratedCO2Tables {
+
+/*!
+ * \ingroup Components
+ * \brief A generic template for tabulated material laws that depend
+ * on two parameters.
+ */
+template <class Traits>
+class TabulatedProperties
+{
+ using Scalar = typename Traits::Scalar;
+
+ static constexpr auto numTempSteps = Traits::numTempSteps;
+ static constexpr auto numPressSteps = Traits::numPressSteps;
+
+public:
+ TabulatedProperties() = default;
+
+ constexpr Scalar minTemp() const { return Traits::minTemp; }
+ constexpr Scalar maxTemp() const { return Traits::maxTemp; }
+ constexpr Scalar minPress() const { return Traits::minPress; }
+ constexpr Scalar maxPress() const { return Traits::maxPress; }
+
+ constexpr bool applies(Scalar temperature, Scalar pressure) const
+ {
+ return minTemp() <= temperature && temperature <= maxTemp() &&
+ minPress() <= pressure && pressure <= maxPress();
+ }
+
+ constexpr Scalar at(Scalar temperature, Scalar pressure) const
+ {
+ if (!applies(temperature, pressure))
+ {
+ if (temperature<minTemp()) temperature = minTemp();
+ else if (temperature>maxTemp()) temperature = maxTemp();
+
+ if (pressure<minPress()) pressure = minPress();
+ else if (pressure>maxPress()) pressure = maxPress();
+ }
+
+ const int i = findTempIdx_(temperature);
+ const int j = findPressIdx_(pressure);
+
+ const Scalar tempAtI = temperatureAt_(i);
+ const Scalar tempAtI1 = temperatureAt_(i + 1);
+ const Scalar pressAtI = pressureAt_(j);
+ const Scalar pressAtI1 = pressureAt_(j + 1);
+
+ const Scalar alpha = (temperature - tempAtI)/(tempAtI1 - tempAtI);
+ const Scalar beta = (pressure - pressAtI)/(pressAtI1 - pressAtI);
+
+ // bi-linear interpolation
+ const Scalar lowresValue =
+ (1-alpha)*(1-beta)*val(i, j) +
+ (1-alpha)*( beta)*val(i, j + 1) +
+ ( alpha)*(1-beta)*val(i + 1, j) +
+ ( alpha)*( beta)*val(i + 1, j + 1);
+
+ // return the weighted sum of the low- and high-resolution values
+ return lowresValue;
+ }
+
+ constexpr Scalar val(int i, int j) const
+ { return Traits::vals[i][j]; }
+
+private:
+ constexpr int findTempIdx_(Scalar temperature) const
+ {
+ if (Dune::FloatCmp::eq<Scalar>(temperature, maxTemp()))
+ return numTempSteps - 2;
+
+ const int result = static_cast<int>((temperature - minTemp())/(maxTemp() - minTemp())*(numTempSteps - 1));
+
+ using std::clamp;
+ return clamp(result, 0, numTempSteps - 2);
+ }
+
+ constexpr int findPressIdx_(Scalar pressure) const
+ {
+ if (Dune::FloatCmp::eq<Scalar>(pressure, maxPress()))
+ return numPressSteps - 2;
+
+ const int result = static_cast<int>((pressure - minPress())/(maxPress() - minPress())*(numPressSteps - 1));
+
+ using std::clamp;
+ return clamp(result, 0, numPressSteps - 2);
+ }
+
+ constexpr Scalar temperatureAt_(int i) const
+ { return i*(maxTemp() - minTemp())/(numTempSteps - 1) + minTemp(); }
+
+ constexpr Scalar pressureAt_(int j) const
+ { return j*(maxPress() - minPress())/(numPressSteps - 1) + minPress(); }
+};
+
+struct TabulatedDensityTraits
+{
+ using Scalar = double;
+ static constexpr std::string_view name = "density";
+ static constexpr int numTempSteps = $NUM_TEMP_SAMPLES;
+ static constexpr Scalar minTemp = $MIN_TEMP;
+ static constexpr Scalar maxTemp = $MAX_TEMP;
+ static constexpr int numPressSteps = $NUM_PRESS_SAMPLES;
+ static constexpr Scalar minPress = $MIN_PRESS;
+ static constexpr Scalar maxPress = $MAX_PRESS;
+ static constexpr Scalar vals[numTempSteps][numPressSteps] = {
+ $DENSITY_VALS
+ };
+};
+
+struct TabulatedEnthalpyTraits
+{
+ using Scalar = double;
+ static constexpr std::string_view name = "enthalpy";
+ static constexpr int numTempSteps = $NUM_TEMP_SAMPLES;
+ static constexpr Scalar minTemp = $MIN_TEMP;
+ static constexpr Scalar maxTemp = $MAX_TEMP;
+ static constexpr int numPressSteps = $NUM_PRESS_SAMPLES;
+ static constexpr Scalar minPress = $MIN_PRESS;
+ static constexpr Scalar maxPress = $MAX_PRESS;
+ static constexpr Scalar vals[numTempSteps][numPressSteps] = {
+ $ENTHALPY_VALS
+ };
+};
+
+using TabulatedDensity = TabulatedProperties<TabulatedDensityTraits>;
+using TabulatedEnthalpy = TabulatedProperties<TabulatedEnthalpyTraits>;
+
+// this class collects all the tabulated quantities in one convenient place
+struct CO2Tables
+{
+ static constexpr inline TabulatedEnthalpy tabulatedEnthalpy = {};
+ static constexpr inline TabulatedDensity tabulatedDensity = {};
+};
+} // end namespace Dumux::GeneratedCO2Tables
+
+#endif
diff --git a/bin/util/co2values.inc.template b/bin/util/co2values.inc.template
deleted file mode 100644
index 9f16b1ab2e..0000000000
--- a/bin/util/co2values.inc.template
+++ /dev/null
@@ -1,60 +0,0 @@
-/* Tables for CO2 fluid properties calculated according to Span and
- * Wagner (1996) and using a web service of the National Institute
- * of Standards and Techlology of the U.S. Department of Commerce:
- * https://webbook.nist.gov/
- *
- * THIS AN AUTO-GENERATED FILE! DO NOT EDIT IT!
- *
- ********************************************************************
-
- In case you are using this the data generated with this script
- please cite the following publications:
-
- P.J. Linstrom and W.G. Mallard, Eds.,
- NIST Chemistry WebBook, NIST Standard Reference Database Number 69,
- National Institute of Standards and Technology, Gaithersburg MD, 20899,
- https://doi.org/10.18434/T4D303, (retrieved $DATE).
-
- Span, Roland, and Wolfgang Wagner.
- "A new equation of state for carbon dioxide covering
- the fluid region from the tripleâ€point temperature
- to 1100 K at pressures up to 800 MPa."
- Journal of physical and chemical reference data 25.6 (1996): 1509-1596.
- https://doi.org/10.1063/1.555991
-
- ********************************************************************
- *
- * Generated using:
- *
- * ./make_co2_table.py -t1 $MIN_TEMP -t2 $MAX_TEMP -nt $NUM_TEMP_SAMPLES -p1 $MIN_PRESS -p2 $MAX_PRESS -np $NUM_PRESS_SAMPLES
- */
-
-struct TabulatedDensityTraits
-{
- using Scalar = double;
- static constexpr std::string_view name = "density";
- static constexpr int numTempSteps = $NUM_TEMP_SAMPLES;
- static constexpr Scalar minTemp = $MIN_TEMP;
- static constexpr Scalar maxTemp = $MAX_TEMP;
- static constexpr int numPressSteps = $NUM_PRESS_SAMPLES;
- static constexpr Scalar minPress = $MIN_PRESS;
- static constexpr Scalar maxPress = $MAX_PRESS;
- static constexpr Scalar vals[numTempSteps][numPressSteps] = {
- $DENSITY_VALS
- };
-};
-
-struct TabulatedEnthalpyTraits
-{
- using Scalar = double;
- static constexpr std::string_view name = "enthalpy";
- static constexpr int numTempSteps = $NUM_TEMP_SAMPLES;
- static constexpr Scalar minTemp = $MIN_TEMP;
- static constexpr Scalar maxTemp = $MAX_TEMP;
- static constexpr int numPressSteps = $NUM_PRESS_SAMPLES;
- static constexpr Scalar minPress = $MIN_PRESS;
- static constexpr Scalar maxPress = $MAX_PRESS;
- static constexpr Scalar vals[numTempSteps][numPressSteps] = {
- $ENTHALPY_VALS
- };
-};
diff --git a/bin/util/make_co2_table.py b/bin/util/make_co2_table.py
index e00ecb2a4b..d436b39ae3 100755
--- a/bin/util/make_co2_table.py
+++ b/bin/util/make_co2_table.py
@@ -152,7 +152,7 @@ DENSITY_DATA = ",\n".join(DENSITY_DATA)
ENTHALPY_DATA = ",\n".join(ENTHALPY_DATA)
# write the table by filling the gaps in the template
-with open("co2values.inc.template", "r") as templateFile:
+with open("co2table.hh.template", "r") as templateFile:
template = Template(templateFile.read())
replacements = {
@@ -167,5 +167,5 @@ replacements = {
"DATE": date.today().strftime("%B %d, %Y"),
}
-with open("co2values.inc", "w") as tables:
+with open("co2table.hh", "w") as tables:
tables.write(template.substitute(replacements))
--
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