The Gnome Chemistry Utils
0.14.3
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#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 |
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FormulaElt () | |
virtual | ~FormulaElt () |
Public Attributes | |
Residue const * | residue |
std::string | Symbol |
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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. |
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virtual |
The destructor.
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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.
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virtual |
Implements gcu::FormulaElt.
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inline |
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virtual |
Reimplemented from gcu::FormulaElt.
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virtual |
Reimplemented from gcu::FormulaElt.
Residue const* gcu::FormulaResidue::residue |
The gcu::Residue correponding to the found symbol.
std::string gcu::FormulaResidue::Symbol |