Merge pull request #5 from gdmiron/origin-bucket

Origin bucket

.gitignore

@@ -16,6 +16,7 @@ tests/unit06/H2OZD2005-test.pro.user*
 tests/gUnitTest/gUnitTest.pro.user*
 tests/interfaceTest/interfaceTest.pro.user*
 tests/dbclientTest/dbclientTest.pro.user*
+examples/build/
 src/*.autosave
 tests/unit01/src/*.autosave
 .directory
@@ -44,9 +45,12 @@ tests/interfaceTest/include/
 tests/interfaceTest/install_manifest.txt
 tests/interfaceTest/lib/
 tests/interfaceTest/thirdparty/
+temp*
 
 .vscode/
 tests/PyThermoFun.so
+d-*
+e-*
 
 python/tests/H2OWP95reaktoro.csv
 python/tests/PyThermoFun.cpython-36m-x86_64-linux-gnu.so
@@ -57,3 +61,4 @@ python/pyThermoFun/CMakeLists_old.txt
 
 
 
+

CMakeLists.txt

@@ -7,7 +7,31 @@ project(ThermoFun VERSION 0.1.10 LANGUAGES CXX)
 # Set the cmake module path of the project
 set(CMAKE_MODULE_PATH "${CMAKE_SOURCE_DIR}/cmake/modules")
 
-set(CMAKE_MACOSX_RPATH ON)
+if (CMAKE_CXX_COMPILER_ID MATCHES "MSVC")
+
+include_directories("${CMAKE_SOURCE_DIR}/../dependencies/include")
+
+else() # build for linux
+
+endif()
+
+if (BUILD_WINDOWS)
+set(CMAKE_CXX_STANDARD 11)
+# the name of the target operating system
+SET(CMAKE_SYSTEM_NAME Windows)
+
+# which compilers to use for C and C++
+SET(CMAKE_C_COMPILER x86_64-w64-mingw32-gcc)
+SET(CMAKE_CXX_COMPILER x86_64-w64-mingw32-g++)
+
+# here is the target environment located
+SET(CMAKE_FIND_ROOT_PATH  /usr/x86_64-w64-mingw32)
+
+include_directories("/usr/local/include")
+link_directories("/usr/local/lib")
+
+else() # build for linux
+endif()
 
 # Use ccache to speed up repeated compilations
 include(CCache)

README.md

@@ -163,15 +163,15 @@ make
 
 -DTFUN_BUILD_GUI=ON -DTFUN_BUILD_GUIDEMO=ON options trigger the compilation of ThermoFunGui library and the gui demo widget. 
 
-The build script will also copy into the build folder the necessary /Resources folder. In the Resources folder a file named "fun-dbclient-config.json" is present and contains the arangodb database connection preferences. 
+The build script will also copy into the build folder the necessary /Resources folder. In the Resources folder a file named "fun-hubclient-config.json" is present and contains the arangodb database connection preferences. 
 
 To run the ThermoFun GUI demo in the terminal at ```~/build$``` execute:
 
 ```
 ./guidemo.sh
 ```
 
-You can change the arango database connection setup using the preferences icon on the start widget, or by making changes in ```Resources/fun-dbclient-config.json``` file.
+You can change the arango database connection setup using the preferences icon on the start widget, or by making changes in ```Resources/fun-hubclient-config.json``` file.
 
 * For building using Qt Creator, use the ThermoFunDemoGUI.pro project file found in  ```~/thermofun/fungui```.
 
@@ -217,10 +217,57 @@ from thermofun import *
 
 In the build folder a test file text.py can be found, this can be run by executing ```python test.py``` and ```python test-dbc.py``` . If successful in addition to on screen output, two files, results.csv and results_dbc.csv files containing calculation results will be created. 
 
-If compilation was successful the /Resources folder will be copied to the build folder. In this folder the necessary test files, connection to the arangodb database preferences, and data schemas are present. To change database connection without using the GUI, make changes in the ```Resources/fun-dbclient-config.json``` file.
+If compilation was successful the /Resources folder will be copied to the build folder. In this folder the necessary test files, connection to the arangodb database preferences, and data schemas are present. To change database connection without using the GUI, make changes in the ```Resources/fun-hubclient-config.json``` file.
 
 
-### Simple C++ API example
+## Build and Run ThermoFun GUI on Windows 10
+
+* Make sure you have git installed. If not, install it on Windows: https://git-scm.com/download/win.
+* To download ThermoFun source code, using Windows Command Prompt go to C:/git/THERMOFUN and execute
+
+```
+git clone https://bitbucket.org/gems4/thermofun.git
+```
+
+## Prepare building tools
+
+* ThermoFun GUI dependencies will be compiled using MSVC 2017 64 bit compiler. For this Visual Studio Community (2017) needs to be installed: 
+https://docs.microsoft.com/en-us/visualstudio/install/install-visual-studio?view=vs-2017
+At Step 4 - Select workloads, select Desktop development with C++ to be installed. On the individual components page check that also Windows 10 SDK is selected to be installed.
+* In addition to MSVC 2017, Qt needs to be installed: https://www.qt.io/download in C:/Qt folder (Qt installation folder is used in further scripts, please use C:/Qt)!
+Select with Qt 5.12.0 MSVC 2017 64-bit with Qt Charts, and Qt WebEngine.
+
+### Install Dependencies
+
+* For compiling the libraries that ThermoFun GUI is dependent on, three .bat scripts can be found in /thermofun. The process will several minutes. In a windows Command Prompt terminal go to C:/git/THERMOFUN/thermofun and run:
+
+```
+C:\git\THERMOFUN\thermofun>a-build-win-dependencies.bat
+```
+
+* This script builds curl and velocypack libraries, copies then in the C:\git\THERMOFUN\dependencies folder, creates buil-fun-gui folder and copies there the necessary resources files
+
+```
+C:\git\THERMOFUN\thermofun>b-build-win-boost.bat 
+```
+
+* This script builds the necessary boost libraries and copies then in the C:\git\THERMOFUN\dependencies folder
+
+```
+C:\git\THERMOFUN\thermofun>c-build-win-jsonio-jsonui.bat C:\Qt\5.12.3\msvc2017_64\bin
+```
+
+* This script builds jsonio and jsonui libraries, copies then in the C:\git\THERMOFUN\dependencies folder. Don't forget to use the corect Qt installation path.
+
+### Compiling and the ThermoFun GUI demo in Qt Creator
+
+* In Qt Creator open C:\git\THERMOFUN\thermofun\fungui\ThermoFunDemoGUI.pro
+* Set the build folder to C:\git\THERMOFUN\build-fun-gui (release mode). NOT! C:\git\THERMOFUN\build-fun-gui\release 
+* After the successful compilation try to run ThermoFun GUI from Qt Creator. All necessary dependencies and Resources should be already set in the right place. 
+
+* Unsuccessful attempts could be due to unsuccesful compilation of dependences, missing or not correctly copied lib or Resources files, etc. 
+
+## Simple C++ API example
 
 * Using a json database file
 
@@ -262,7 +309,7 @@ int main()
 int main()
 {
     // Set the file path to the database connection and preferences file (provided in the Resources/ folder)
-    setDatabaseConnectionFilePath("fun-dbclient-config.json");
+    setDatabaseConnectionFilePath("fun-hubclient-config.json");
 
     // Initialize a database client object
     ThermoFun::DatabaseClient dbc;
@@ -351,7 +398,7 @@ batch.thermoPropertiesSubstance( [[25, 1],[40, 1],[70, 100],[90, 100],[100, 100]
 
 ```
 #!Python
-PyThermoDBClient.setDatabaseConnectionFilePath("Resources/fun-dbclient-config.json")
+PyThermoDBClient.setDatabaseConnectionFilePath("Resources/fun-hubclient-config.json")
 
 print("\n# Initialize a database client object\n")
 dbc = PyThermoDBClient.DatabaseClient()

Resources/fun-hubclient-config-win.json

@@ -0,0 +1,48 @@
+{
+     "jsonio" :   {
+          "UseArangoDBInstance" :   "ArangoDBRemote",
+          "UseVelocypackPut" :   true,
+          "UseVelocypackGet" :   true,
+          "ArangoDBLocal" :   {
+               "DBName" :   "userdatabase",
+               "DBCreate" :   true,
+               "DB_URL" :   "http://localhost:8529",
+               "DBUser" :   "root",
+               "DBUserPassword" :   "",
+               "DBAccess" :   "rw",
+               "DBRootName" :   "_system",
+               "DBRootUser" :   "root",
+               "DBRootPassword" :   ""
+          },
+          "ArangoDBRemote" :   {
+               "DBName" :   "hub_main",
+               "DBCreate" :   false,
+               "DB_URL" :   "https://db.thermohub.net",
+               "DBUser" :   "matchrem",
+               "DBUserPassword" :   "ThermoMatch@Remote-ThermoHub-Server",
+               "DBAccess" :   "rw",
+               "DBRootName" :   "_system",
+               "DBRootUser" :   "",
+               "DBRootPassword" :   ""
+          }
+     },
+     "jsonui" :   {
+          "CurrentDBConnection" :   "ArangoDBRemote",
+          "ViewOnlyMode" :   true,
+          "CanEdit_id" :   false,
+          "KeepExpanded" :   true,
+          "ShowComments" :   true,
+          "ShowEnumNames" :   true
+     },
+     "common" :   {
+          "UserHomeDirectoryPath" :   "C:/",
+          "WorkDirectoryPath" :   "",
+          "ResourcesDirectory" :   "Resources",
+          "SchemasDirectory" :   "Resources/data/schemas",
+          "LuaScriptsDirectory" :   "Resources/lua"
+     },
+     "jsonimpex" :   {
+          "ThriftDBSocketHost" :   "",
+          "ThriftDBSocketPort" :   0
+     }
+}

ThermoFun/Batch/OutputBatch.cpp

@@ -16,16 +16,20 @@ struct Output::Impl
     std::string                         header = "";
     std::ofstream                       fProperties;
 
-    Impl(const ThermoBatch& interface)
-    : api(ThermoBatch(interface))
+    Impl(const ThermoBatch& batch_)
+    : api(ThermoBatch(batch_))
     {}
 
 };
 
-Output::Output(const ThermoBatch& interface)
-: pimpl(new Impl(interface))
+Output::Output(const ThermoBatch& batch)
+: pimpl(new Impl(batch))
 {}
 
+//Output::Output(const void *a)
+//: pimpl(new Impl(*(ThermoBatch*)a))
+//{}
+
 auto find_and_replace(std::string source, std::string const& find, std::string const& replace) -> std::string
 {
     for(std::string::size_type i = 0; (i = source.find(find, i)) != std::string::npos;)

ThermoFun/Batch/OutputBatch.h

@@ -19,7 +19,7 @@ class Output
     /// \brief Output constructor
     /// \param interface
     ///
-    Output(const ThermoBatch & interface);
+    Output(const ThermoBatch& batch);
 
     auto toCSV                  (std::string filename) -> void;
     auto toCSVTransposed        (std::string filename) -> void;

ThermoFun/Batch/ThermoBatch.cpp

@@ -12,6 +12,11 @@
 #include "ThermoEngine.h"
 #include "Common/Units.hpp"
 
+#ifdef _WIN32
+#include <array>
+#else
+#endif
+
 namespace ThermoFun {
 
 enum Calculation {forSUBSTANCE, forREACTION, forSOLVENT};
@@ -186,7 +191,7 @@ struct ThermoBatch::Impl
 
     auto calculate(Calculation calculation) -> void
     {
-        double T, P; string symbol; unsigned j_size, i_size;
+        double T, P; string symbol; size_t j_size, i_size;
         auto defUnitT = defaultPropertyUnits.at("temperature");
         auto unitT    =   givenPropertyUnits.at("temperature");
         auto defUnitP = defaultPropertyUnits.at("pressure");
@@ -280,7 +285,7 @@ auto ThermoBatch::thermoPropertiesSubstance(double T, double P, std::string symb
 
     pimpl->calculate(forSUBSTANCE);
 
-    return Output (*this);
+    return Output(*this);
 }
 
 auto ThermoBatch::thermoPropertiesSubstance(double T, double P, vstr symbols, vstr properties) -> Output

ThermoFun/Batch/ThermoBatch.h

@@ -13,7 +13,7 @@
 
 namespace ThermoFun {
 
-struct Database;
+class Database;
 struct ThermoPropertiesSubstance;
 struct ThermoPropertiesReaction;
 struct PropertiesSolvent;

ThermoFun/CMakeLists.txt

@@ -13,9 +13,12 @@ add_library(ThermoFun ${HEADER_FILES} ${SOURCE_FILES})
 # Add aliases for ThermoFun shared and static libraries
 add_library(ThermoFun::ThermoFun ALIAS ThermoFun)
 
-if( NOT ${CMAKE_CXX_COMPILER_ID} MATCHES "Clang")
+if (CMAKE_CXX_COMPILER_ID MATCHES "MSVC")
+  #link_directories("/usr/local/lib")
+
+else() # build for linux
   # Find library and software dependencies
-  find_package(Boost 1.65.1 REQUIRED)
+  find_package(Boost 1.58.0 REQUIRED)
   find_package(nlohmann_json 3.6.1 REQUIRED)
 
 

ThermoFun/Common/OutputWaterSteamConventionProp.cpp

@@ -8,7 +8,7 @@ namespace ThermoFun {
 auto OutputSteamConventionH2OProp (std::string filename, const WaterThermoState wt) -> void
 {
     std::ofstream myfile;
-//    filename = output_path + filename;
+//    filename = Outputpath + filename;
     myfile.open (filename, std::ios::app);
     string c=",";
 

ThermoFun/Common/ParseJsonToData.cpp

@@ -122,6 +122,7 @@ auto setTPMethods_old(const ReactionTPMethodType &type, Reaction &r) -> void
         case ReactionTPMethodType::logk_lagrange_interp:
         case ReactionTPMethodType::logk_marshall_frank78:
         case ReactionTPMethodType::solute_eos_ryzhenko_gems:
+        case ReactionTPMethodType::logk_dolejs_manning10:
             r.setMethod_T(MethodCorrT_Thrift::type(new_old_r_methodtype.at(type)));
             break;
         case ReactionTPMethodType::dr_volume_fpt:
@@ -291,6 +292,8 @@ auto thermoParamReac (const json &j, ThermoParametersReaction& pr) -> void
         pr.reaction_RB_coeff = j["dr_ryzhenko_coeffs"]["values"].get<vector<double>>();
     if (j.contains("dr_marshall_franck_coeffs"))
         pr.reaction_FM_coeff = j["dr_marshall_franck_coeffs"]["values"].get<vector<double>>();
+    if (j.contains("dr_dolejs_manning10_coeffs"))
+        pr.reaction_DM10_coeff = j["dr_dolejs_manning10_coeffs"]["values"].get<vector<double>>();
 
 
 //    double lT = 0.0; double uT = 0.0;

ThermoFun/Common/ParseJsonToData.h

@@ -2,9 +2,9 @@
 
 namespace ThermoFun {
 
-struct Substance;
-struct Reaction;
-struct Element;
+class Substance;
+class Reaction;
+class Element;
 
 //DefinesSubstLevelOptions levelOptionsDefault;
 /// Parses an element bson object and loads its data into the element structure