From 5957a05b62f88f041cb0dec831fe62ade55d8393 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Thu, 2 Feb 2023 14:08:33 -0500
Subject: [PATCH] Improve the setting of departure and BIP in
build_multifluid_model
Can also specify them as JSON-formatted string, to make fitting a bit easier, for instance
---
include/teqp/models/multifluid.hpp | 45 +++++++++++++++++++++++++----
src/tests/catch_test_multifluid.cxx | 17 +++++++++++
2 files changed, 57 insertions(+), 5 deletions(-)
diff --git a/include/teqp/models/multifluid.hpp b/include/teqp/models/multifluid.hpp
index be804d1..950067d 100644
--- a/include/teqp/models/multifluid.hpp
+++ b/include/teqp/models/multifluid.hpp
@@ -914,11 +914,46 @@ inline auto make_pure_components_JSON(const nlohmann::json& components, const st
inline auto build_multifluid_model(const std::vector<std::string>& components, const std::string& coolprop_root, const std::string& BIPcollectionpath = {}, const nlohmann::json& flags = {}, const std::string& departurepath = {}) {
- std::string BIPpath = (BIPcollectionpath.empty()) ? coolprop_root + "/dev/mixtures/mixture_binary_pairs.json" : BIPcollectionpath;
- const auto BIPcollection = load_a_JSON_file(BIPpath);
-
- std::string deppath = (departurepath.empty()) ? coolprop_root + "/dev/mixtures/mixture_departure_functions.json" : departurepath;
- const auto depcollection = load_a_JSON_file(deppath);
+
+ auto is_valid_path = [](const std::string & s){
+ try{
+ std::filesystem::is_regular_file(s);
+ return true;
+ }
+ catch(...){
+ return false;
+ }
+ };
+
+ nlohmann::json BIPcollection = nlohmann::json::array();
+ // If not provided, default values
+ if (BIPcollectionpath.empty()){
+ auto BIPpath = coolprop_root + "/dev/mixtures/mixture_binary_pairs.json";
+ BIPcollection = load_a_JSON_file(BIPpath);
+ }
+ // If path to existing file, use it
+ else if (is_valid_path(BIPcollectionpath) && std::filesystem::is_regular_file(BIPcollectionpath)){
+ BIPcollection = load_a_JSON_file(BIPcollectionpath);
+ }
+ // Or assume it is a string in JSON format
+ else{
+ BIPcollection = nlohmann::json::parse(BIPcollectionpath);
+ }
+
+ nlohmann::json depcollection = nlohmann::json::array();
+ // If not provided, default values
+ if (departurepath.empty()){
+ std::string deppath = coolprop_root + "/dev/mixtures/mixture_departure_functions.json";
+ depcollection = load_a_JSON_file(deppath);
+ }
+ // If path to existing file, use it
+ else if (is_valid_path(departurepath) && std::filesystem::is_regular_file(departurepath)){
+ depcollection = load_a_JSON_file(departurepath);
+ }
+ // Or assume it is a string in JSON format
+ else{
+ depcollection = nlohmann::json::parse(departurepath);
+ }
return _build_multifluid_model(make_pure_components_JSON(components, coolprop_root), BIPcollection, depcollection, flags);
}
diff --git a/src/tests/catch_test_multifluid.cxx b/src/tests/catch_test_multifluid.cxx
index b277f4a..9a72a7f 100644
--- a/src/tests/catch_test_multifluid.cxx
+++ b/src/tests/catch_test_multifluid.cxx
@@ -191,6 +191,23 @@ TEST_CASE("Check mixing absolute and relative paths and fluid names", "[multiflu
}
}
+TEST_CASE("Check specifying some different kinds of sources of BIP", "[multifluidBIP]") {
+ std::string root = "../mycp";
+ SECTION("Not JSON, should throw") {
+ std::vector<std::string> paths = { std::filesystem::absolute(root + "/dev/fluids/Nitrogen.json").string(), "Ethane" };
+ CHECK_THROWS(build_multifluid_model(paths, root, "I am not a JSON formatted string"));
+ }
+ SECTION("The normal approach") {
+ std::vector<std::string> paths = { std::filesystem::absolute(root + "/dev/fluids/Nitrogen.json").string(), "Ethane" };
+ auto model = build_multifluid_model(paths, root, root + "/dev/mixtures/mixture_binary_pairs.json");
+ }
+ SECTION("Sending the contents in JSON format") {
+ std::vector<std::string> paths = { std::filesystem::absolute(root + "/dev/fluids/Nitrogen.json").string(), "PROPANE" };
+ auto BIP = load_a_JSON_file(root + "/dev/mixtures/mixture_binary_pairs.json");
+ auto model = build_multifluid_model(paths, root, BIP.dump());
+ }
+}
+
TEST_CASE("Check that all binary pairs specified in the binary pair file can be instantiated", "[multifluid],[binaries]") {
std::string root = "../mycp";
REQUIRE_NOTHROW(build_alias_map(root));
--
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