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formulaparser.cpp
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formulaparser.cpp
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#include "formulaparser.h"
#include <QString>
#include <string>
#include <cctype>
#include <memory>
#include <string_view>
#include "periodictable.h"
float FormulaParser::ToFloat(const std::string& element_atomic_weight) {
return std::stof(element_atomic_weight);
}
std::string FormulaParser::GetElement(std::string_view& formula, QString& error) {
std::string result;
result.push_back(formula.front());
formula.remove_prefix(1);
if (!formula.empty()) {
if (isdigit(result[0]) && (isdigit(formula.front()) || formula.front() == '.')) {
while (isdigit(formula.front()) || formula.front() == '.') {
result.push_back(formula.front());
formula.remove_prefix(1);
if (formula.empty()) {
break;
}
else if ((formula.front() == '.' && result.back() == '.') || (formula.front() == '.' && isdigit(result.back()))) {
error = "Wrong input " + QString::fromStdString(std::string(formula));
}
}
}
else if (islower(formula.front())) {
result.push_back(formula.front());
formula.remove_prefix(1);
}
}
return result;
}
std::string_view FormulaParser::CatSubFormula(std::string_view& formula, const size_t left_pose, const size_t right_pose) {
std::string_view sub_formula = formula.substr(left_pose, right_pose);
formula.remove_prefix(right_pose);
return sub_formula;
}
bool FormulaParser::IsIn(const std::string_view& formula, size_t pose) {
return pose < formula.size();
}
std::string_view FormulaParser::GetSubFormula(std::string_view& formula) {
size_t after_opening_bracket_pose = 0;
size_t closing_bracket = formula.find_first_of(')');
size_t one_more_sub_formula_bracket = formula.find_first_of('(');
if (IsIn(formula, closing_bracket) && IsIn(formula, one_more_sub_formula_bracket)) {
if (closing_bracket < one_more_sub_formula_bracket) {
return {CatSubFormula(formula, after_opening_bracket_pose, closing_bracket)};
}
if (closing_bracket > one_more_sub_formula_bracket) {
closing_bracket = formula.find_last_of(')');
return {CatSubFormula(formula, after_opening_bracket_pose, closing_bracket)};
}
}
return {CatSubFormula(formula, after_opening_bracket_pose, closing_bracket)};
}
std::unique_ptr<Expression<float>> FormulaParser::Parse(std::string_view& formula, QString& error) {
if (formula.empty()) {
return Value(static_cast<float>(0));
}
// =========================================================================================================================
if (formula.front() == '[' || formula.front() == ']' ||
formula.front() == '*' || formula.front() == '-' ||
formula.front() == '+'
) {
formula.remove_prefix(1);
return Parse(formula, error);
}
// =========================================================================================================================
if (formula.front() == '(') {
formula.remove_prefix(1);
std::string_view sub_formula_view(GetSubFormula(formula));
std::unique_ptr<Expression<float>> sub_formula = Parse(sub_formula_view, error);
formula.remove_prefix(1);
// -----------------------------------
if (formula.empty()) {
error = "The brackets are set incorrectly " + QString::fromStdString(std::string(formula));
}
// -----------------------------------
float l_value = ToFloat(GetElement(formula, error));
// -----------------------------------
if (formula.empty()) {
return Product(Value(sub_formula->Evaluate()), Value(l_value));
}
// -----------------------------------
return Sum(Product(Value(sub_formula->Evaluate()), Value(l_value)), Parse(formula, error));
}
// =========================================================================================================================
if (isdigit(formula.front())) {
float l_value = ToFloat(GetElement(formula, error));
// -----------------------------------
if (formula.front() == '(') {
error = "The brackets are set incorrectly " + QString::fromStdString(std::string(formula));
}
// -----------------------------------
if (isupper(formula.front())) {
return Product(Value(l_value), Parse(formula, error));
}
// -----------------------------------
if (formula.empty()) {
return Value(l_value);
}
// ------------------------------------
}
// =========================================================================================================================
if (isupper(formula.front())) {
float l_value = PeriodicTable::Instence().GetAtomicWeightByElement(GetElement(formula, error));
// -----------------------------------
if(l_value == 0){
error = "The chemical element is incorrectly entered";
}
// -----------------------------------
if (formula.empty()) {
return Value(l_value);
}
// -----------------------------------
if (isupper(formula.front())) {
return Sum(Value(l_value), Parse(formula, error));
}
// -----------------------------------
if (isdigit(formula.front())) {
float r_value = ToFloat(GetElement(formula, error));
// ------------------
if (formula.empty()) {
return Product(Value(l_value), Value(r_value));
}
// ------------------
return Sum(Product(Value(l_value), Value(r_value)), Parse(formula, error));
}
// -----------------------------------
if (formula.front() == '(') {
formula.remove_prefix(1);
std::string_view sub_formula_view(GetSubFormula(formula));
std::unique_ptr<Expression<float>> sub_formula = Parse(sub_formula_view, error);
formula.remove_prefix(1);
// ------------------
if (formula.empty()) {
error = "The brackets are set incorrectly " + QString::fromStdString(std::string(formula));
}
// ------------------
float r_value = ToFloat(GetElement(formula, error));
// ------------------
if (formula.empty()) {
return Sum(Value(l_value), Product(Value(sub_formula->Evaluate()), Value(r_value)));
}
// ------------------
return Sum(Sum(Value(l_value), Product(Value(sub_formula->Evaluate()), Value(r_value))), Parse(formula, error));
}
// -----------------------------------
return Parse(formula, error);
}
// =========================================================================================================================
error = "Wrong input " + QString::fromStdString(std::string(formula));
return Value(static_cast<float>(0));
}
float FormulaParser::ConvertToMolecularWeight(const QString& сhemical_formula, QString& error) {
std::string formula = сhemical_formula.toStdString();
std::string_view formula_view(formula);
std::unique_ptr<Expression<float>> formula_expression = Parse(formula_view, error);
return formula_expression->Evaluate();
}