gcu::FormulaResidue Class Reference
#include <formula.h>
List of all members.
Detailed Description
class
FormulaResidue gcu/formula.h
Definition at line 233 of file formula.h.
Constructor & Destructor Documentation
gcu::FormulaResidue::FormulaResidue |
( |
Residue const * |
res, |
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char const * |
symbol, |
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int |
Z | |
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) |
| | |
- Parameters:
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| res | a gcu::Residue. |
| symbol | the atoms group symbol |
| Z | the atomic number of the element with the same symbol or 0. |
virtual gcu::FormulaResidue::~FormulaResidue |
( |
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) |
[virtual] |
Member Function Documentation
std::string gcu::FormulaResidue::Markup |
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) |
[virtual] |
- Returns:
- the string representation of the element as a markup.
Reimplemented from gcu::FormulaElt.
std::string gcu::FormulaResidue::Text |
( |
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) |
[virtual] |
- Returns:
- the string representation of the element as raw text.
Reimplemented from gcu::FormulaElt.
void gcu::FormulaResidue::BuildRawFormula |
( |
std::map< int, int > & |
raw |
) |
[virtual] |
- Parameters:
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| 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.
int gcu::FormulaResidue::GetValence |
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) |
[virtual] |
- Returns:
- the (most probable) valence of the element.
Implements gcu::FormulaElt.
gcu::FormulaResidue::GetZ |
( |
void |
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) |
const [inline] |
- Returns:
- the atomic number of the element with the same symbol or 0.
Definition at line 276 of file formula.h.
Member Data Documentation
The symbol of the atoms group.
Definition at line 272 of file formula.h.
The documentation for this class was generated from the following file: