diff --git a/CMakeLists.txt b/CMakeLists.txt index e1b7d7c..767ae8d 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -3,4 +3,6 @@ project(Empirical) set(CMAKE_CXX_STANDARD 20) -add_executable(Empirical main.cpp) +add_executable(Empirical main.cpp + Element.cpp + Element.h) diff --git a/Element.cpp b/Element.cpp new file mode 100644 index 0000000..e647dbd --- /dev/null +++ b/Element.cpp @@ -0,0 +1,150 @@ +// +// Created by alex on 11/1/23. +// + +#include "Element.h" + +double Element::getWeight(const string& name) { + return weights.at(name); +} + + +string Element::find_empirical(map elms) { + //Map will hold the elements with their values in moles + map moles; + + map::iterator it; + double lowest = 9999999; + for(it = elms.begin(); it != elms.end(); it++) { + double mole = it->second / getWeight(it->first); + if(mole < lowest) + lowest = mole; + + + //cout << "Element " << it->first << " has this many moles: " << ceil(mole * 100) / 100 << endl; + moles.insert(make_pair(it->first, mole)); + } + + for(it = moles.begin(); it != moles.end(); it++) { + it->second /= lowest; + cout << "Element " << it->first << " has this many moles: " << ceil(it->second * 100) / 100 << endl; + } + + + return std::string(); +} + +const map Element::weights = { + {"H", 1.008}, + {"He", 4.0026}, + {"Li", 6.94}, + {"Be", 9.0122}, + {"B", 10.81}, + {"C", 12.011}, + {"N", 14.007}, + {"O", 15.999}, + {"F", 18.998}, + {"Ne", 20.180}, + {"Na", 22.990}, + {"Mg", 24.305}, + {"Al", 26.982}, + {"Si", 28.085}, + {"P", 30.974}, + {"S", 32.06}, + {"Cl", 35.45}, + {"K", 39.098}, + {"Ar", 39.948}, + {"Ca", 40.08}, + {"Sc", 44.956}, + {"Ti", 47.867}, + {"V", 50.942}, + {"Cr", 51.996}, + {"Mn", 54.94}, + {"Fe", 55.85}, + {"Ni", 58.693}, + {"Co", 58.933}, + {"Cu", 63.546}, + {"Zn", 65.38}, + {"Ga", 69.723}, + {"Ge", 72.63}, + {"As", 74.922}, + {"Se", 78.96}, + {"Br", 79.904}, + {"Kr", 83.798}, + {"Rb", 85.468}, + {"Sr", 87.62}, + {"Y", 88.906}, + {"Zr", 91.224}, + {"Nb", 92.906}, + {"Mo", 95.95}, + {"Tc", 98}, + {"Ru", 101.07}, + {"Rh", 102.91}, + {"Pd", 106.42}, + {"Ag", 107.87}, + {"Cd", 112.41}, + {"In", 114.82}, + {"Sn", 118.71}, + {"Sb", 121.76}, + {"Te", 127.6}, + {"I", 126.90}, + {"Xe", 131.29}, + {"Cs", 132.91}, + {"Ba", 137.33}, + {"La", 138.91}, + {"Ce", 140.12}, + {"Pr", 140.91}, + {"Nd", 144.24}, + {"Pm", 145}, + {"Sm", 150.36}, + {"Eu", 152.00}, + {"Gd", 157.25}, + {"Tb", 158.93}, + {"Dy", 162.50}, + {"Ho", 164.93}, + {"Er", 167.26}, + {"Tm", 168.93}, + {"Yb", 173.04}, + {"Lu", 175.00}, + {"Hf", 178.49}, + {"Ta", 180.95}, + {"W", 183.84}, + {"Re", 186.21}, + {"Os", 190.23}, + {"Ir", 192.22}, + {"Pt", 195.08}, + {"Au", 196.97}, + {"Hg", 200.59}, + {"Tl", 204.38}, + {"Pb", 207.2}, + {"Bi", 208.98}, + {"Th", 232.04}, + {"Pa", 231.04}, + {"U", 238.03}, + {"Np", 237}, + {"Pu", 244}, + {"Am", 243}, + {"Cm", 247}, + {"Bk", 247}, + {"Cf", 251}, + {"Es", 252}, + {"Fm", 257}, + {"Md", 258}, + {"No", 259}, + {"Lr", 262}, + {"Rf", 267}, + {"Db", 270}, + {"Sg", 271}, + {"Bh", 270}, + {"Hs", 277}, + {"Mt", 276}, + {"Ds", 281}, + {"Rg", 280}, + {"Cn", 285}, + {"Nh", 284}, + {"Fl", 289}, + {"Mc", 288}, + {"Lv", 293}, + {"Ts", 294}, + {"Og", 294} +}; \ No newline at end of file diff --git a/Element.h b/Element.h new file mode 100644 index 0000000..a3134b1 --- /dev/null +++ b/Element.h @@ -0,0 +1,23 @@ +// +// Created by alex on 11/1/23. +// +#include +#include +#include + +#ifndef EMPIRICAL_ELEMENT_H +#define EMPIRICAL_ELEMENT_H +using namespace std; + +class Element { +private: + static const map weights; +public: + static double getWeight(const string& name); + + //Return a string representation of empirical formula + static string find_empirical(map elms); +}; + + +#endif //EMPIRICAL_ELEMENT_H diff --git a/cmake-build-debug/.cmake/api/v1/reply/cache-v2-25f6cc7cede7caaf705c.json b/cmake-build-debug/.cmake/api/v1/reply/cache-v2-25f6cc7cede7caaf705c.json deleted file mode 100644 index 3449ce2..0000000 --- a/cmake-build-debug/.cmake/api/v1/reply/cache-v2-25f6cc7cede7caaf705c.json +++ /dev/null @@ -1,1211 +0,0 @@ -{ - 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b/cmake-build-debug/.cmake/api/v1/reply/codemodel-v2-ac1371e2a9ab301fc0fc.json similarity index 81% rename from cmake-build-debug/.cmake/api/v1/reply/codemodel-v2-a3b30359dc994ad59738.json rename to cmake-build-debug/.cmake/api/v1/reply/codemodel-v2-ac1371e2a9ab301fc0fc.json index f50bb1b..d20d0c1 100644 --- a/cmake-build-debug/.cmake/api/v1/reply/codemodel-v2-a3b30359dc994ad59738.json +++ b/cmake-build-debug/.cmake/api/v1/reply/codemodel-v2-ac1371e2a9ab301fc0fc.json @@ -39,7 +39,7 @@ { "directoryIndex" : 0, "id" : "Empirical::@6890427a1f51a3e7e1df", - "jsonFile" : "target-Empirical-Debug-1a0f6d932fcfd2c2802c.json", + "jsonFile" : "target-Empirical-Debug-4463ca4fa5bb0403bd7e.json", "name" : "Empirical", "projectIndex" : 0 } @@ -49,8 +49,8 @@ "kind" : "codemodel", "paths" : { - "build" : "/home/xeno/Projects/Empirical/cmake-build-debug", - "source" : "/home/xeno/Projects/Empirical" + "build" : "/home/alex/Projects/Empirical/cmake-build-debug", + "source" : "/home/alex/Projects/Empirical" }, "version" : { diff --git a/cmake-build-debug/.cmake/api/v1/reply/index-2023-10-20T21-34-19-0375.json b/cmake-build-debug/.cmake/api/v1/reply/index-2023-11-01T14-31-14-0743.json similarity index 78% rename from cmake-build-debug/.cmake/api/v1/reply/index-2023-10-20T21-34-19-0375.json rename to cmake-build-debug/.cmake/api/v1/reply/index-2023-11-01T14-31-14-0743.json index ddff835..1a7870f 100644 --- a/cmake-build-debug/.cmake/api/v1/reply/index-2023-10-20T21-34-19-0375.json +++ b/cmake-build-debug/.cmake/api/v1/reply/index-2023-11-01T14-31-14-0743.json @@ -4,7 +4,7 @@ "generator" : { "multiConfig" : false, - "name" : "Ninja" + "name" : "Unix Makefiles" }, "paths" : { @@ -26,7 +26,7 @@ "objects" : [ { - "jsonFile" : "codemodel-v2-a3b30359dc994ad59738.json", + "jsonFile" : "codemodel-v2-ac1371e2a9ab301fc0fc.json", "kind" : "codemodel", "version" : { @@ -35,7 +35,7 @@ } }, { - "jsonFile" : "cache-v2-25f6cc7cede7caaf705c.json", + "jsonFile" : 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similarity index 80% rename from cmake-build-debug/.cmake/api/v1/reply/target-Empirical-Debug-1a0f6d932fcfd2c2802c.json rename to cmake-build-debug/.cmake/api/v1/reply/target-Empirical-Debug-4463ca4fa5bb0403bd7e.json index 796d7f5..7d96ec4 100644 --- a/cmake-build-debug/.cmake/api/v1/reply/target-Empirical-Debug-1a0f6d932fcfd2c2802c.json +++ b/cmake-build-debug/.cmake/api/v1/reply/target-Empirical-Debug-4463ca4fa5bb0403bd7e.json @@ -49,7 +49,8 @@ }, "sourceIndexes" : [ - 0 + 0, + 1 ] } ], @@ -82,7 +83,15 @@ "name" : "Source Files", "sourceIndexes" : [ - 0 + 0, + 1 + ] + }, + { + "name" : "Header Files", + "sourceIndexes" : + [ + 2 ] } ], @@ -93,6 +102,17 @@ "compileGroupIndex" : 0, "path" : "main.cpp", "sourceGroupIndex" : 0 + }, + { + "backtrace" : 1, + "compileGroupIndex" : 0, + "path" : "Element.cpp", + "sourceGroupIndex" : 0 + }, + { + "backtrace" : 1, + "path" : "Element.h", + "sourceGroupIndex" : 1 } ], "type" : "EXECUTABLE" diff --git a/cmake-build-debug/CMakeCache.txt b/cmake-build-debug/CMakeCache.txt index dca061a..f9d6edf 100644 --- a/cmake-build-debug/CMakeCache.txt +++ b/cmake-build-debug/CMakeCache.txt @@ -1,5 +1,5 @@ # This is the CMakeCache file. -# For build in directory: /home/xeno/Projects/Empirical/cmake-build-debug +# For build in directory: /home/alex/Projects/Empirical/cmake-build-debug # It was generated by CMake: /usr/bin/cmake # You can edit this file to change values found and used by cmake. # If you do not want to change any of the values, simply exit the editor. @@ -24,6 +24,17 @@ CMAKE_AR:FILEPATH=/usr/bin/ar // MinSizeRel ... CMAKE_BUILD_TYPE:STRING=Debug +//Id string of the compiler for the CodeBlocks IDE. Automatically +// detected when left empty +CMAKE_CODEBLOCKS_COMPILER_ID:STRING= + +//The CodeBlocks executable +CMAKE_CODEBLOCKS_EXECUTABLE:FILEPATH=CMAKE_CODEBLOCKS_EXECUTABLE-NOTFOUND + +//Additional command line arguments when CodeBlocks invokes make. +// Enter e.g. -j to get parallel builds +CMAKE_CODEBLOCKS_MAKE_ARGUMENTS:STRING=-j16 + //Enable colored diagnostics throughout. CMAKE_COLOR_DIAGNOSTICS:BOOL=ON @@ -101,7 +112,7 @@ CMAKE_EXE_LINKER_FLAGS_RELWITHDEBINFO:STRING= CMAKE_EXPORT_COMPILE_COMMANDS:BOOL= //Value Computed by CMake. -CMAKE_FIND_PACKAGE_REDIRECTS_DIR:STATIC=/home/xeno/Projects/Empirical/cmake-build-debug/CMakeFiles/pkgRedirects +CMAKE_FIND_PACKAGE_REDIRECTS_DIR:STATIC=/home/alex/Projects/Empirical/cmake-build-debug/CMakeFiles/pkgRedirects //Install path prefix, prepended onto install directories. CMAKE_INSTALL_PREFIX:PATH=/usr/local @@ -109,8 +120,8 @@ CMAKE_INSTALL_PREFIX:PATH=/usr/local //Path to a program. CMAKE_LINKER:FILEPATH=/usr/bin/ld -//No help, variable specified on the command line. -CMAKE_MAKE_PROGRAM:UNINITIALIZED=/opt/clion/bin/ninja/linux/x64/ninja +//Path to a program. +CMAKE_MAKE_PROGRAM:FILEPATH=/usr/bin/make //Flags used by the linker during the creation of modules during // all build types. @@ -216,13 +227,19 @@ CMAKE_TAPI:FILEPATH=CMAKE_TAPI-NOTFOUND CMAKE_VERBOSE_MAKEFILE:BOOL=FALSE //Value Computed by CMake -Empirical_BINARY_DIR:STATIC=/home/xeno/Projects/Empirical/cmake-build-debug +Empirical_BINARY_DIR:STATIC=/home/alex/Projects/Empirical/cmake-build-debug //Value Computed by CMake Empirical_IS_TOP_LEVEL:STATIC=ON //Value Computed by CMake -Empirical_SOURCE_DIR:STATIC=/home/xeno/Projects/Empirical +Empirical_SOURCE_DIR:STATIC=/home/alex/Projects/Empirical + +//Path to a program. +ProcessorCount_cmd_nproc:FILEPATH=/usr/bin/nproc + +//Path to a program. +ProcessorCount_cmd_sysctl:FILEPATH=/usr/bin/sysctl ######################## @@ -234,7 +251,7 @@ 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Empirical" + @echo "... Element.o" + @echo "... Element.i" + @echo "... Element.s" + @echo "... main.o" + @echo "... main.i" + @echo "... main.s" +.PHONY : help + + + +#============================================================================= +# Special targets to cleanup operation of make. + +# Special rule to run CMake to check the build system integrity. +# No rule that depends on this can have commands that come from listfiles +# because they might be regenerated. +cmake_check_build_system: + $(CMAKE_COMMAND) -S$(CMAKE_SOURCE_DIR) -B$(CMAKE_BINARY_DIR) --check-build-system CMakeFiles/Makefile.cmake 0 +.PHONY : cmake_check_build_system + diff --git a/cmake-build-debug/Testing/Temporary/LastTest.log b/cmake-build-debug/Testing/Temporary/LastTest.log index c7fe9d3..71f81a2 100644 --- a/cmake-build-debug/Testing/Temporary/LastTest.log +++ b/cmake-build-debug/Testing/Temporary/LastTest.log @@ -1,3 +1,3 @@ -Start testing: Oct 22 20:23 CDT +Start testing: Nov 01 09:31 CDT ---------------------------------------------------------- -End testing: Oct 22 20:23 CDT +End testing: Nov 01 09:31 CDT diff --git a/cmake-build-debug/cmake_install.cmake b/cmake-build-debug/cmake_install.cmake index 35642f2..6e6f4ea 100644 --- a/cmake-build-debug/cmake_install.cmake +++ b/cmake-build-debug/cmake_install.cmake @@ -1,4 +1,4 @@ -# Install script for directory: /home/xeno/Projects/Empirical +# Install script for directory: /home/alex/Projects/Empirical # Set the install prefix if(NOT DEFINED CMAKE_INSTALL_PREFIX) @@ -50,5 +50,5 @@ endif() string(REPLACE ";" "\n" CMAKE_INSTALL_MANIFEST_CONTENT "${CMAKE_INSTALL_MANIFEST_FILES}") -file(WRITE "/home/xeno/Projects/Empirical/cmake-build-debug/${CMAKE_INSTALL_MANIFEST}" +file(WRITE "/home/alex/Projects/Empirical/cmake-build-debug/${CMAKE_INSTALL_MANIFEST}" "${CMAKE_INSTALL_MANIFEST_CONTENT}") diff --git a/main.cpp b/main.cpp index 7929496..0411b5e 100644 --- a/main.cpp +++ b/main.cpp @@ -2,167 +2,16 @@ #include #include #include +#include "Element.h" using namespace std; -class Element { -private: - static const map weights; -public: - static double getWeight(const string& name) { - return weights.at(name); - } - - //Return a string representation of empirical formula - static string find_empirical(map elms); - - -}; // For now just a list with elements and their atomic weight -string find_empirical(const string& compound) { - //Token thru the string, find the elements -} - -const map Element::weights = { -{"H", 1.008}, -{"He", 4.0026}, -{"Li", 6.94}, -{"Be", 9.0122}, -{"B", 10.81}, -{"C", 12.011}, -{"N", 14.007}, -{"O", 15.999}, -{"F", 18.998}, -{"Ne", 20.180}, -{"Na", 22.990}, -{"Mg", 24.305}, -{"Al", 26.982}, -{"Si", 28.085}, -{"P", 30.974}, -{"S", 32.06}, -{"Cl", 35.45}, -{"K", 39.098}, -{"Ar", 39.948}, -{"Ca", 40.08}, -{"Sc", 44.956}, -{"Ti", 47.867}, -{"V", 50.942}, -{"Cr", 51.996}, -{"Mn", 54.94}, -{"Fe", 55.85}, -{"Ni", 58.693}, -{"Co", 58.933}, -{"Cu", 63.546}, -{"Zn", 65.38}, -{"Ga", 69.723}, -{"Ge", 72.63}, -{"As", 74.922}, -{"Se", 78.96}, -{"Br", 79.904}, -{"Kr", 83.798}, -{"Rb", 85.468}, -{"Sr", 87.62}, -{"Y", 88.906}, -{"Zr", 91.224}, -{"Nb", 92.906}, -{"Mo", 95.95}, -{"Tc", 98}, -{"Ru", 101.07}, -{"Rh", 102.91}, -{"Pd", 106.42}, -{"Ag", 107.87}, -{"Cd", 112.41}, -{"In", 114.82}, -{"Sn", 118.71}, -{"Sb", 121.76}, -{"Te", 127.6}, -{"I", 126.90}, -{"Xe", 131.29}, -{"Cs", 132.91}, -{"Ba", 137.33}, -{"La", 138.91}, -{"Ce", 140.12}, -{"Pr", 140.91}, -{"Nd", 144.24}, -{"Pm", 145}, -{"Sm", 150.36}, -{"Eu", 152.00}, -{"Gd", 157.25}, -{"Tb", 158.93}, -{"Dy", 162.50}, -{"Ho", 164.93}, -{"Er", 167.26}, -{"Tm", 168.93}, -{"Yb", 173.04}, -{"Lu", 175.00}, -{"Hf", 178.49}, -{"Ta", 180.95}, -{"W", 183.84}, -{"Re", 186.21}, -{"Os", 190.23}, -{"Ir", 192.22}, -{"Pt", 195.08}, -{"Au", 196.97}, -{"Hg", 200.59}, -{"Tl", 204.38}, -{"Pb", 207.2}, -{"Bi", 208.98}, -{"Th", 232.04}, -{"Pa", 231.04}, -{"U", 238.03}, -{"Np", 237}, -{"Pu", 244}, -{"Am", 243}, -{"Cm", 247}, -{"Bk", 247}, -{"Cf", 251}, -{"Es", 252}, -{"Fm", 257}, -{"Md", 258}, -{"No", 259}, -{"Lr", 262}, -{"Rf", 267}, -{"Db", 270}, -{"Sg", 271}, -{"Bh", 270}, -{"Hs", 277}, -{"Mt", 276}, -{"Ds", 281}, -{"Rg", 280}, -{"Cn", 285}, -{"Nh", 284}, -{"Fl", 289}, -{"Mc", 288}, -{"Lv", 293}, -{"Ts", 294}, -{"Og", 294} -}; - -string Element::find_empirical(map elms) { - //Map will hold the elements with their values in moles - map moles; - - map::iterator it; - double lowest = 9999999; - for(it = elms.begin(); it != elms.end(); it++) { - double mole = it->second / getWeight(it->first); - if(mole < lowest) - lowest = mole; - //cout << "Element " << it->first << " has this many moles: " << ceil(mole * 100) / 100 << endl; - moles.insert(make_pair(it->first, mole)); - } - - for(it = moles.begin(); it != moles.end(); it++) { - it->second /= lowest; - cout << "Element " << it->first << " has this many moles: " << ceil(it->second * 100) / 100 << endl; - } - return std::string(); -} double integer_maker(const vector& coefs) { cout << "Started Integer Maker" << endl;