KDE 4.2 API Reference kalzium
OpenBabel2Wrapper Class Reference
#include <openbabel2wrapper.h>
Detailed Description
Definition at line 28 of file openbabel2wrapper.h.
Static Public Member Functions | |
| static QString | getFormula (Avogadro::Molecule *molecule) |
| static QString | getPrettyFormula (Avogadro::Molecule *molecule) |
| static Avogadro::Molecule * | readMolecule (const QString &filename) |
| static bool | writeMolecule (const QString &filename, Avogadro::Molecule *) |
Member Function Documentation
| QString OpenBabel2Wrapper::getFormula | ( | Avogadro::Molecule * | molecule | ) | [static] |
Definition at line 89 of file openbabel2wrapper.cpp.
| QString OpenBabel2Wrapper::getPrettyFormula | ( | Avogadro::Molecule * | molecule | ) | [static] |
Definition at line 95 of file openbabel2wrapper.cpp.
| Avogadro::Molecule * OpenBabel2Wrapper::readMolecule | ( | const QString & | filename | ) | [static] |
This class reads the molecule in the file filename.
It returns 0 if the file couldn't be read.
Definition at line 32 of file openbabel2wrapper.cpp.
| bool OpenBabel2Wrapper::writeMolecule | ( | const QString & | filename, | |
| Avogadro::Molecule * | mol | |||
| ) | [static] |
Definition at line 64 of file openbabel2wrapper.cpp.
The documentation for this class was generated from the following files:
