_atoms | FragmentElement | |
_centre | FragmentElement | |
_coinMax | FragmentElement | |
_coinMin | FragmentElement | |
_index | FragmentElement | |
_name | FragmentElement | |
_numberOfElectrons | FragmentElement | |
_numberOfOA | FragmentElement | |
centre() | FragmentElement | [inline] |
FragmentElement() | FragmentElement | |
getAtomName() const | FragmentElement | [inline] |
getName() const | FragmentElement | [inline] |
load() const | FragmentElement | [inline] |
load() | FragmentElement | [inline] |
numberOfAtoms() const | FragmentElement | [inline] |
numberOfElectrons() const | FragmentElement | [inline] |
numberOfElectrons() | FragmentElement | [inline] |
setAtoms(const int beginAtom, const int EndAtom, const setOfAtoms &atoms) | FragmentElement | |
setLoad() | FragmentElement | |
writeQCIFile(std::ofstream &out) | FragmentElement | |
~FragmentElement() | FragmentElement |