class Species
{
public:
static const int menudim1 = 2;
static const int menudim2 = 4;
static const int enthalpy_count = 7;
static const int sp_temp_count = 6;
ChemicalData* chem;
bool valid;
bool has_formula;
int group;
int backspec;
bool menupos[menudim1][menudim2];
double convfac;
double molweight;
double k_power;
double k_collision;
double enthalpy[enthalpy_count];
double sp_temp[sp_temp_count];
ChemicalSubstance* formula;
bool hydrocarbon;
public:
Species();
Species
(ChemicalData
* chem,
QTextStream &file,
const QVector<QString>
&groupnames
);
~Species();
void readDataFromFile
(QTextStream &file,
const QVector<QString>
&groupnames
);
void setBackSpeciesIndex (int index);
void displaySelf();
};
class Species
{
public:
static const int menudim1 = 2;
static const int menudim2 = 4;
static const int enthalpy_count = 7;
static const int sp_temp_count = 6;
ChemicalData* chem;
bool valid;
QString name;
bool has_formula;
int group;
QString backspec_name;
int backspec;
bool menupos[menudim1][menudim2];
double convfac;
double molweight;
double k_power;
double k_collision;
double enthalpy[enthalpy_count];
double sp_temp[sp_temp_count];
ChemicalSubstance* formula;
bool hydrocarbon;
public:
Species();
Species(ChemicalData* chem, QTextStream &file, const QVector<QString> &groupnames);
~Species();
void readDataFromFile(QTextStream &file, const QVector<QString> &groupnames);
void setBackSpeciesIndex (int index);
void displaySelf();
};
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class ChemicalSubstance
{
enum LetterType {blank, number, upper, lower, open, close};
public:
ChemicalData* chem;
int elcount;
QVector<int> elements;
QVector<int> amounts;
bool valid;
public:
ChemicalSubstance(ChemicalData* chem, QVector<QString> elementlist, QVector<int> amountlist);
ChemicalSubstance
(ChemicalData
* chem,
QString formula
);
~ChemicalSubstance();
bool containsElements(QVector<QString> elms);
bool containsOnlyElements(QVector<QString> elms);
bool containsExactlyTheseElements(QVector<QString> elms);
bool isHydroCarbon();
};
class ChemicalSubstance
{
enum LetterType {blank, number, upper, lower, open, close};
public:
ChemicalData* chem;
int elcount;
QVector<int> elements;
QVector<int> amounts;
bool valid;
public:
ChemicalSubstance(ChemicalData* chem, QVector<QString> elementlist, QVector<int> amountlist);
ChemicalSubstance(ChemicalData* chem, QString formula);
~ChemicalSubstance();
bool containsElements(QVector<QString> elms);
bool containsElements(QString elms1, QString elms2 = "", QString elms3 = "", QString elms4 = "", QString elms5 = "",
QString elms6 = "", QString elms7 = "", QString elms8 = "", QString elms9 = "", QString elms10 = "");
bool containsOnlyElements(QVector<QString> elms);
bool containsOnlyElements(QString elms1, QString elms2 = "", QString elms3 = "", QString elms4 = "", QString elms5 = "",
QString elms6 = "", QString elms7 = "", QString elms8 = "", QString elm9 = "", QString elms10 = "");
bool containsExactlyTheseElements(QVector<QString> elms);
bool containsExactlyTheseElements(QString elms1, QString elms2 = "", QString elms3 = "", QString elms4 = "", QString elms5 = "",
QString elms6 = "", QString elms7 = "", QString elms8 = "", QString elms9 = "", QString elms10 = "");
bool isHydroCarbon();
};
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