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Alex
2023-11-10 12:50:52 -06:00
parent 49914499f1
commit eee1760b8f
38 changed files with 2669 additions and 2292 deletions
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4
CMakeLists.txt
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@@ -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)

150
Element.cpp Normal file
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//
// 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<string, double> elms) {
//Map will hold the elements with their values in moles
map<string, double> moles;
map<string, double>::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<string, double> 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}
};

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Element.h Normal file
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//
// Created by alex on 11/1/23.
//
#include <iostream>
#include <map>
#include <cmath>
#ifndef EMPIRICAL_ELEMENT_H
#define EMPIRICAL_ELEMENT_H
using namespace std;
class Element {
private:
static const map<string, double> weights;
public:
static double getWeight(const string& name);
//Return a string representation of empirical formula
static string find_empirical(map<string, double> elms);
};
#endif //EMPIRICAL_ELEMENT_H

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#include <map>
#include <vector>
#include <cmath>
#include "Element.h"
using namespace std;
class Element {
private:
static const map<string, double> weights;
public:
static double getWeight(const string& name) {
return weights.at(name);
}
//Return a string representation of empirical formula
static string find_empirical(map<string, double> 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<string, double> 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<string, double> elms) {
//Map will hold the elements with their values in moles
map<string, double> moles;
map<string, double>::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<double>& coefs) {
cout << "Started Integer Maker" << endl;