|
The Gnome Chemistry Utils
0.14.4
|
#include <formula.h>
Public Member Functions | |
| FormulaResidue (Residue const *res, char const *symbol, int Z) | |
| virtual | ~FormulaResidue () |
| std::string | Markup () |
| std::string | Text () |
| void | BuildRawFormula (std::map< int, int > &raw) |
| int | GetValence () |
| int | GetZ (void) const |
Public Member Functions inherited from gcu::FormulaElt | |
| FormulaElt () | |
| virtual | ~FormulaElt () |
Public Attributes | |
| Residue const * | residue |
| std::string | Symbol |
Public Attributes inherited from gcu::FormulaElt | |
| int | stoich |
| unsigned | start |
| unsigned | end |
class FormulaResidue gcu/formula.h
Represents a residue in a formula.
| gcu::FormulaResidue::FormulaResidue | ( | Residue const * | res, |
| char const * | symbol, | ||
| int | Z | ||
| ) |
| res | a gcu::Residue. |
| symbol | the atoms group symbol |
| Z | the atomic number of the element with the same symbol or 0. |
|
virtual |
The destructor.
|
virtual |
| raw | where to put the result |
Adds the number of atoms of each element to the map taking the stoichiometry coefficient into account.
Implements gcu::FormulaElt.
|
virtual |
Implements gcu::FormulaElt.
|
inline |
|
virtual |
Reimplemented from gcu::FormulaElt.
|
virtual |
Reimplemented from gcu::FormulaElt.
| Residue const* gcu::FormulaResidue::residue |
The gcu::Residue correponding to the found symbol.
| std::string gcu::FormulaResidue::Symbol |
1.8.5