From 54814a43cbba70d5cd1c752b876ac84c4032fe74 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Fri, 15 Oct 2021 21:03:06 -0400
Subject: [PATCH] Remove some example files that are no longer relevant and
superceded by other things
---
src/main.cpp | 75 -------------------------------------------
src/test_autodiff.cpp | 67 --------------------------------------
src/test_variant.cpp | 68 ---------------------------------------
3 files changed, 210 deletions(-)
delete mode 100644 src/main.cpp
delete mode 100644 src/test_autodiff.cpp
delete mode 100644 src/test_variant.cpp
diff --git a/src/main.cpp b/src/main.cpp
deleted file mode 100644
index 9180327..0000000
--- a/src/main.cpp
+++ /dev/null
@@ -1,75 +0,0 @@
-#include <iostream>
-#include <algorithm>
-#include <numeric>
-#include <valarray>
-#include <chrono>
-#include <iomanip>
-
-#include "teqp/derivs.hpp"
-#include "teqp/models/eos.hpp"
-#include "teqp/models/pcsaft.hpp"
-
-void test_vdwMix() {
- // Argon + Xenon
- std::valarray<double> Tc_K = { 150.687, 289.733 };
- std::valarray<double> pc_Pa = { 4863000.0, 5842000.0 };
- vdWEOS<double> vdW(Tc_K, pc_Pa);
-
- double T = 298.15;
- auto rho = 3.0;
- auto R = get_R_gas<double>();
- auto rhotot = rho;
-
- const auto rhovec = (Eigen::ArrayXd(2) << rho/2, rho/2).finished();
-
- auto fPsir = [&vdW](const auto& T, const auto& rhovec) {
- using container = decltype(rhovec);
- auto rhotot_ = std::accumulate(std::begin(rhovec), std::end(rhovec), (decltype(rhovec[0]))0.0);
- auto molefrac = rhovec/rhotot_;
- auto R = forceeval(vdW.R(molefrac));
- return vdW.alphar(T, rhotot_, molefrac)*R*T*rhotot_;
- };
- auto Psir = fPsir(T, rhovec);
- auto dPsirdrho0 = rhovec[0]*derivrhoi(fPsir, T, rhovec, 0);
- auto dPsirdrho1 = rhovec[1]*derivrhoi(fPsir, T, rhovec, 1);
- auto pfromderiv = rho*R*T - Psir + dPsirdrho0 + dPsirdrho1;
- using id = IsochoricDerivatives<decltype(vdW)>;
- auto sr = id::get_splus(vdW, T, rhovec);
-
- auto t2 = std::chrono::steady_clock::now();
- auto pfromderiv3 = rhotot*R*T + id::get_pr(vdW, T, rhovec);
- auto t3 = std::chrono::steady_clock::now();
- std::cout << std::chrono::duration<double>(t3 - t2).count() << " from isochoric (mix) " << std::endl;
-}
-
-int main(){
- test_vdwMix();
-
- std::vector<std::string> names = { "Methane", "Ethane" };
- PCSAFTMixture mix(names);
- mix.print_info();
- using id = IsochoricDerivatives<decltype(mix)>;
- using vd = VirialDerivatives<decltype(mix)>;
- using tdx = TDXDerivatives<decltype(mix)>;
- double T = 300;
- const auto rhovec = (Eigen::ArrayXd(2) << 1.0, 2.0).finished();
- const Eigen::ArrayXd molefrac = (rhovec/rhovec.sum()).eval();
- const double rho = rhovec.sum();
-
- double a00csd = tdx::get_Ar01<ADBackends::complex_step>(mix, T, rho, molefrac);
- double a00cx = tdx::get_Ar01<ADBackends::multicomplex>(mix, T, rho, molefrac);
- double a00ad = tdx::get_Ar01<ADBackends::autodiff>(mix, T, rho, molefrac);
- double a11ad = tdx::get_Ar11<ADBackends::autodiff>(mix, T, rho, molefrac);
-
- for (auto T = 20; T < 1e5; T *= 1.3) {
- double neff = tdx::get_neff<ADBackends::autodiff>(mix, T, 1e-10, molefrac);
- std::cout << T << "," << neff << std::endl;
- }
- double neff = tdx::get_neff<ADBackends::autodiff>(mix, T, rho, molefrac);
- double a00iso = id::get_Ar01(mix, T, rhovec);
- double apriso = id::get_pr(mix, T, rhovec);
- double B2 = vd::get_B2vir(mix, T, molefrac);
- double B12 = vd::get_B12vir(mix, T, molefrac);
-
- return EXIT_SUCCESS;
-}
\ No newline at end of file
diff --git a/src/test_autodiff.cpp b/src/test_autodiff.cpp
deleted file mode 100644
index 525624d..0000000
--- a/src/test_autodiff.cpp
+++ /dev/null
@@ -1,67 +0,0 @@
-#include <iostream>
-#include <algorithm>
-#include <numeric>
-#include <valarray>
-#include <complex>
-#include "teqp/models/eos.hpp"
-
-#include "MultiComplex/MultiComplex.hpp"
-
-// autodiff include
-#include <autodiff/forward/dual.hpp>
-#include <autodiff/forward/dual/eigen.hpp>
-using namespace autodiff;
-
-template<typename Model>
-void test_autodiff(Model model) {
-
- double T = 298.15;
- double rho = 3.0;
- auto rhotot = rho;
- const std::valarray<double> rhovec = { rhotot / 2, rhotot / 2 };
- const std::valarray<double> molefrac = { 0.5, 0.5 };
- double v1, v2, v3;
-
- int Nrep = 10000;
-
- auto ticn1 = std::chrono::steady_clock::now();
- for (int i = 0; i < Nrep; ++i) {
- volatile double rr = model.alphar(T+i*1e-16, rho, molefrac);
- }
- auto tic0 = std::chrono::steady_clock::now();
-
- // autodiff derivatives
- for (int i = 0; i < Nrep; ++i) {
- autodiff::dual4th varT = static_cast<double>(T);
- auto f = [&model, &rho, &molefrac](auto& T) {return eval(model.alphar(T, rho, molefrac)); };
- auto [alphar, dalphardT,d2,d3,d4] = derivatives(f, wrt(varT), at(varT));
- v1 = dalphardT;
- }
- auto tic1 = std::chrono::steady_clock::now();
-
- // complex step (first) derivative
- constexpr double h = 1e-100;
- for (int i = 0; i < Nrep; ++i){
- volatile auto dalphardT_comstep = model.alphar(std::complex<double>(T,h), rho, molefrac).imag()/h;
- v2 = dalphardT_comstep;
- }
- auto tic2 = std::chrono::steady_clock::now();
-
- // Multicomplex derivatives
- for (int i = 0; i < Nrep; ++i) {
- volatile auto diffs = mcx::diff_mcx1<double>([&model, &rho, &molefrac](auto& T) {return model.alphar(T, rho, molefrac); }, T, 1, true)[1];
- v3 = diffs;
- }
- auto tic3 = std::chrono::steady_clock::now();
-
- std::cout << std::chrono::duration<double>(tic0 - ticn1).count()/Nrep*1e6 << " us (function evaluation in double)" << std::endl;
- std::cout << std::chrono::duration<double>(tic1 - tic0).count()/Nrep*1e6 << " us (autodiff)" << std::endl;
- std::cout << std::chrono::duration<double>(tic2 - tic1).count()/Nrep*1e6 << " us (CSD)" << std::endl;
- std::cout << std::chrono::duration<double>(tic3 - tic2).count()/Nrep*1e6 << " us (MCX)" << std::endl;
-}
-
-int main() {
- test_autodiff(build_simple());
- test_autodiff(build_vdW());
- return EXIT_SUCCESS;
-}
\ No newline at end of file
diff --git a/src/test_variant.cpp b/src/test_variant.cpp
deleted file mode 100644
index 3a5e8d3..0000000
--- a/src/test_variant.cpp
+++ /dev/null
@@ -1,68 +0,0 @@
-#include <vector>
-#include <iostream>
-#include <complex>
-#include <variant>
-#include <chrono>
-#include <map>
-#include <valarray>
-
-#include "teqp/types.hpp"
-#include "nlohmann/json.hpp"
-#include "teqp/models/eos.hpp"
-//#include "teqp/models/CPA.hpp"
-#include "teqp/models/multifluid.hpp"
-#include "teqp/models/pcsaft.hpp"
-#include "teqp/containers.hpp"
-#include <Eigen/Dense>
-
-template <typename ModelContainer, typename T1, typename T2, typename T3>
-auto get_f(const ModelContainer &modcon, const T1& x1, const T2& x2, const T3& x3){
- // The output type is the type promotion of T, rho, and molefrac
- std::common_type_t<T1, T2, decltype(x3[0])> result = -1;
- // Call the function with T, rho, molefrac arguments
- std::visit([&](auto&& model) { result = model.alphar(x1, x2, x3); }, modcon);
- return result;
-}
-
-int main(){
- // Here, all models that can be stored in this container are defined. Types may
- // be obtained from factory functions without explicit definition
- using MFType = decltype(build_multifluid_model(std::vector<std::string>{"", ""}, "", ""));
- ModelContainer<MFType, vdWEOS<double>, vdWEOS1> mc;
- nlohmann::json vdWargs = { { "a",3 }, { "b", 4 } };
- std::string vdWs = vdWargs.dump();
- for (auto i = 0; i < 10; ++i) {
- mc.add_model(vdWEOS1(1, 2));
- }
- const auto& v = mc.get_ref<vdWEOS1>(1);
-
- auto c = (Eigen::ArrayXd(2) << 3.0, 3.0).finished();
- int N = 1000;
- volatile double x1 = 3.0;
- std::complex<double> x2(3.0, 1.0);
- vdWEOS1 b1(3, 4);
- for (auto i = 0; i < mc.size(); ++i) {
- Timer t(N);
- for (auto j = 0; j < N; ++j) {
- volatile auto v = b1.alphar(x1, x2, c);
- //std::cout << v << std::endl;
- }
- }
- std::cout << "----" << std::endl;
- for (auto i = 0; i < mc.size(); ++i) {
- const auto& m = mc.get_model(1);
- Timer t(N);
- for (auto j = 0; j < N; ++j) {
- auto v = get_f(m, x1, x2, c);
- //std::cout << v << std::endl;
- }
- }
- std::cout << "----" << std::endl;
- for (auto i = 1; i <= mc.size(); ++i) {
- Timer t(N);
- for (auto j = 0; j < N; ++j) {
- auto v = mc.get_alphar(i, x1, x2, c);
- //std::cout << v << std::endl;
- }
- }
-}
\ No newline at end of file
--
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