From 592313804d921a9fba1190cf2103c0a9dff24392 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Wed, 2 Nov 2022 19:31:26 -0400
Subject: [PATCH] Test and bench new methods
---
interface/CPP/test_teqpcpp.cpp | 11 ++++++++++-
src/bench_AbstractModel.cpp | 15 ++++++++++++---
2 files changed, 22 insertions(+), 4 deletions(-)
diff --git a/interface/CPP/test_teqpcpp.cpp b/interface/CPP/test_teqpcpp.cpp
index 76c23b6..a9d0161 100644
--- a/interface/CPP/test_teqpcpp.cpp
+++ b/interface/CPP/test_teqpcpp.cpp
@@ -10,6 +10,7 @@
#include "teqpcpp.hpp"
#include <iostream>
+#include "teqp/cpp/derivs.hpp"
int main() {
nlohmann::json j = {
@@ -34,10 +35,18 @@ int main() {
auto vhat = am->get_partial_molar_volumes(300.0, z*300.0);
std::cout << vhat << std::endl;
+ auto mat = am->get_deriv_mat2(300.0, 300.0, z);
+ std::cout << mat << std::endl;
+
+ const std::vector<char> vars = {'T','D','P','S'};
+ auto im = teqp::cppinterface::build_iteration_Jv(vars, mat, mat, 8.3144, 300.0, 300.0, z);
+ std::cout << im.J << std::endl;
+
try{
std::cout << am->get_m() << std::endl;
}
- catch(...){
+ catch(std::exception&e){
+ std::cout << e.what() << std::endl;
std::cout << "This fails, as it should because the model is not a PCSAFT one" << std::endl;
}
}
diff --git a/src/bench_AbstractModel.cpp b/src/bench_AbstractModel.cpp
index 7ad0b1c..89896ac 100644
--- a/src/bench_AbstractModel.cpp
+++ b/src/bench_AbstractModel.cpp
@@ -2,16 +2,16 @@
#include <catch2/benchmark/catch_benchmark_all.hpp>
#include "../interface/CPP/teqpcpp.hpp"
+#include "teqp/cpp/derivs.hpp"
using namespace teqp;
TEST_CASE("multifluid derivatives", "[mf]")
{
-
nlohmann::json j = {
{"kind", "multifluid"},
{"model", {
- {"components", {"../mycp/dev/fluids/Methane.json","../mycp/dev/fluids/Ethane.json"}},
+ {"components", {"../mycp/dev/fluids/Methane.json"}},
{"BIP", "../mycp/dev/mixtures/mixture_binary_pairs.json"},
{"departure", "../mycp/dev/mixtures/mixture_departure_functions.json"}
}
@@ -20,7 +20,7 @@ TEST_CASE("multifluid derivatives", "[mf]")
auto am = teqp::cppinterface::make_model(j);
auto am2 = teqp::cppinterface::make_vdW1(2, 3);
- auto z = (Eigen::ArrayXd(2) << 0.5, 0.5).finished();
+ auto z = (Eigen::ArrayXd(1) << 1.0).finished();
auto rhovec = 300.0*z;
BENCHMARK("alphar") {
@@ -35,4 +35,13 @@ TEST_CASE("multifluid derivatives", "[mf]")
BENCHMARK("partial_molar_volumes") {
return am->get_partial_molar_volumes(300.0, rhovec);
};
+ BENCHMARK("get_deriv_mat2") {
+ return am->get_deriv_mat2(300.0, 3.0, z);
+ };
+ BENCHMARK("build_iteration_Jv") {
+ auto mat = am->get_deriv_mat2(300.0, 3.0, z);
+ auto mat2 = am->get_deriv_mat2(300.0, 3.0, z);
+ const std::vector<char> vars = {'T','D','P','S'};
+ return teqp::cppinterface::build_iteration_Jv(vars, mat, mat2, 8.3144, 300.0, 300.0, z);
+ };
}
--
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