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cantera/test/general/test_units.cpp
Ray Speth 3028c14a10 Improve setting of default energy and pressure units 
Only treat activation energies as a special case, rather than all molar
energies. Units of activation energy can be set either explicitly or by setting
units for energy and quantity. Only the case where activation energies are given
as temperatures needs to be specified explicitly.

Allow setting of default energy units, which allows calories to be used.

Also add dyn/cm^2 as an option for pressure units.
2019-06-25 22:30:59 -04:00

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#include "gtest/gtest.h"
#include "cantera/base/Units.h"
#include "cantera/base/AnyMap.h"
using namespace Cantera;
TEST(Units, convert_to_base_units) {
UnitSystem U;
EXPECT_DOUBLE_EQ(U.convert(1.0, "Pa", "kg/m/s^2"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, "J", "kg*m^2/s^2"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, "ohm", "kg*m^2/s^3/A^2"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, "V", "kg*m^2/A*s^-3"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, "coulomb", "A*s"), 1.0);
}
TEST(Units, notation) {
UnitSystem U;
EXPECT_DOUBLE_EQ(U.convert(2.0, "m^2", "m*m"), 2.0);
EXPECT_DOUBLE_EQ(U.convert(3.0, "", "kg/kg"), 3.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, "1/m^2", "m^-2"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(4.0, "s^3", "s^5/s^2"), 4.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, "kg * m/s ^2", "s^-2*kg*m"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, " kg*m / s^ 2", "s ^-2 * kg*m"), 1.0);
}
TEST(Units, basic_conversions) {
UnitSystem U;
EXPECT_DOUBLE_EQ(U.convert(100, "cm", "m"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(2, "kmol", "mol"), 2000);
EXPECT_DOUBLE_EQ(U.convert(1000, "cal", "J"), 4184);
EXPECT_DOUBLE_EQ(U.convert(2, "m^3", "l"), 2000);
EXPECT_DOUBLE_EQ(U.convert(1, "atm", "Pa"), 101325);
}
TEST(Units, prefixes) {
UnitSystem U;
EXPECT_DOUBLE_EQ(U.convert(1.0, "MJ", "J"), 1e6);
EXPECT_DOUBLE_EQ(U.convert(1.0, "nm", "cm"), 1e-7);
EXPECT_DOUBLE_EQ(U.convert(1.0, "m^2", "cm^2"), 1e4);
EXPECT_DOUBLE_EQ(U.convert(1.0, "m/s", "km/hr"), 3.6);
}
TEST(Units, with_defaults1) {
UnitSystem U({"cm", "g", "mol", "atm", "kcal"});
EXPECT_DOUBLE_EQ(U.convert(1.0, "m"), 0.01);
EXPECT_DOUBLE_EQ(U.convert(1.0, "kmol/m^3"), 1000);
EXPECT_DOUBLE_EQ(U.convert(1.0, "kg/kmol"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, "cm^2"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, "Pa"), 101325);
EXPECT_DOUBLE_EQ(U.convert(1.0, "hPa"), 1013.25);
EXPECT_DOUBLE_EQ(U.convert(1.0, "Pa*m^6/kmol"), 101325*1e-12*1000);
EXPECT_DOUBLE_EQ(U.convert(1.0, "J"), 4184);
}
TEST(Units, with_defaults2) {
UnitSystem U({"dyn/cm^2"});
EXPECT_DOUBLE_EQ(U.convert(1.0, "Pa"), 0.1);
EXPECT_DOUBLE_EQ(U.convert(1.0, "N/m^2"), 1.0);
}
TEST(Units, with_defaults_map) {
std::map<std::string, std::string> defaults{
{"length", "cm"}, {"mass", "g"}, {"quantity", "mol"},
{"pressure", "atm"}, {"energy", "J"}
};
UnitSystem U;
U.setDefaults(defaults);
EXPECT_DOUBLE_EQ(U.convert(1.0, "m"), 0.01);
EXPECT_DOUBLE_EQ(U.convert(1.0, "kmol/m^3"), 1000);
EXPECT_DOUBLE_EQ(U.convert(1.0, "kg/kmol"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, "cm^2"), 1.0);
EXPECT_DOUBLE_EQ(U.convert(1.0, "Pa"), 101325);
EXPECT_DOUBLE_EQ(U.convert(1.0, "hPa"), 1013.25);
EXPECT_DOUBLE_EQ(U.convert(1.0, "Pa*m^6/kmol"), 101325*1e-12*1000);
EXPECT_DOUBLE_EQ(U.convert(1.0, "J/cm^3"), 1.0);
}
TEST(Units, bad_defaults) {
UnitSystem U;
std::map<std::string, std::string> bad_key{{"length", "m"}, {"joy", "MJ"}};
EXPECT_THROW(U.setDefaults(bad_key), CanteraError);
std::map<std::string, std::string> bad_value{{"length", "m"}, {"time", "J"}};
EXPECT_THROW(U.setDefaults(bad_value), CanteraError);
}
TEST(Units, activation_energies1) {
UnitSystem U;
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(1000, "J/kmol", "J/mol"), 1.0);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(100, "K", "K"), 100);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(500, "K", "J/kmol"), 500 * GasConstant);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(3, "J/mol", "K"), 3000 / GasConstant);
}
TEST(Units, activation_energies2) {
UnitSystem U;
U.setDefaultActivationEnergy("cal/mol");
U.setDefaults({"cm", "g", "J"});
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(1000, "cal/mol"), 1000);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(1000, "J/kmol"), 4184e3);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(1000, "K"), 4184e3 / GasConstant);
}
TEST(Units, activation_energies3) {
UnitSystem U({"cal", "mol"});
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(1000, "cal/mol"), 1000);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(1000, "J/kmol"), 4184e3);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(1000, "K"), 4184e3 / GasConstant);
}
TEST(Units, activation_energies4) {
UnitSystem U;
U.setDefaultActivationEnergy("K");
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(2000, "K"), 2000);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(2000, "J/kmol"), 2000 * GasConstant);
}
TEST(Units, activation_energies5) {
UnitSystem U;
std::map<std::string, std::string> defaults{
{"quantity", "mol"}, {"energy", "cal"}, {"activation-energy", "K"}
};
U.setDefaults(defaults);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(2000, "K"), 2000);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(2000, "J/kmol"), 2000 * GasConstant);
}
TEST(Units, activation_energies6) {
UnitSystem U;
std::map<std::string, std::string> defaults{
{"activation-energy", "eV"}
};
U.setDefaults(defaults);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(1, "J/kmol"), ElectronCharge * Avogadro);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(1, "eV"), 1.0);
}
TEST(Units, from_anymap) {
AnyMap m = AnyMap::fromYamlString(
"{p: 12 bar, v: 10, A: 1 cm^2, V: 1,"
" k1: [5e2, 2, 29000], k2: [1e14, -1, 1300 cal/kmol]}");
UnitSystem U({"mm", "min", "atm"});
m.applyUnits(U);
EXPECT_DOUBLE_EQ(m.convert("p", "Pa"), 12e5);
EXPECT_DOUBLE_EQ(m.convert("v", "cm/min"), 1.0);
EXPECT_DOUBLE_EQ(m.convert("A", "mm^2"), 100);
EXPECT_DOUBLE_EQ(m.convert("V", "m^3"), 1e-9);
auto k1 = m["k1"].asVector<AnyValue>();
EXPECT_DOUBLE_EQ(U.convert(k1[0], "m^3/kmol"), 1e-9*5e2);
EXPECT_DOUBLE_EQ(U.convertActivationEnergy(k1[2], "J/kmol"), 29000);
}
TEST(Units, from_anymap_default) {
AnyMap m = AnyMap::fromYamlString("{p0: 10 atm, h0: 10 cal/kmol}");
EXPECT_DOUBLE_EQ(m.convert("p0", "Pa", 999), 10*OneAtm);
EXPECT_DOUBLE_EQ(m.convert("p1", "Pa", 999), 999);
EXPECT_DOUBLE_EQ(m.convert("h0", "J/kmol", 999), 41.84);
EXPECT_DOUBLE_EQ(m.convert("h1", "J/kmol", 999), 999);
}
TEST(Units, from_yaml) {
AnyMap m = AnyMap::fromYamlString(
"units: {length: km}\n"
"foo:\n"
"- units: {length: cm}\n" // applies to items in foo
"- bar: 0.6\n"
"- baz: 0.2\n"
" units: {length: mm}\n" // applies to just this entry (with "baz")
"spam:\n"
"- eggs: 3\n"
"- ham: [0.1, 0.3, 0.5]\n"
);
EXPECT_FALSE(m.hasKey("units"));
EXPECT_DOUBLE_EQ(m.units().convert(1, "m"), 1000);
auto& foo = m["foo"].asVector<AnyMap>();
EXPECT_DOUBLE_EQ(foo[0].units().convert(1, "m"), 0.01);
EXPECT_DOUBLE_EQ(foo[1].units().convert(1, "m"), 0.001);
EXPECT_DOUBLE_EQ(foo[0].convert("bar", "m"), 0.006);
auto& spam = m["spam"].asVector<AnyMap>();
EXPECT_DOUBLE_EQ(spam[0].convert("eggs", "m"), 3000);
EXPECT_DOUBLE_EQ(spam[1].convertVector("ham", "m")[2], 500);
}
TEST(Units, act_energy_from_yaml) {
AnyMap m = AnyMap::fromYamlString(
"units: {energy: J, quantity: mol, activation-energy: K}\n"
"foo:\n"
"- units: {quantity: kmol}\n" // applies to items in foo
"- bar: 0.6\n"
"- baz: 0.2\n"
" units: {energy: kJ}\n" // applies to just this entry (with "baz")
);
auto& foo = m["foo"].asVector<AnyMap>();
EXPECT_DOUBLE_EQ(foo[0].units().convertActivationEnergy(foo[0]["bar"], "K"), 0.6);
EXPECT_DOUBLE_EQ(foo[1].units().convertActivationEnergy(foo[1]["baz"], "K"), 0.2);
EXPECT_DOUBLE_EQ(foo[0].convert("bar", "J/mol"), 0.0006);
EXPECT_DOUBLE_EQ(foo[1].convert("baz", "J/mol"), 0.2);
}
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