setOfAtoms Member List

This is the complete list of members for setOfAtoms, including all inherited members.

_atomssetOfAtoms [protected]
_numberOfAAsetOfAtoms [protected]
_numberOfAtomssetOfAtoms [protected]
_numberOfFragmentssetOfAtoms [protected]
atomName(const int i)setOfAtoms [inline]
buildGravityCenter(double *G)setOfAtoms
buildIinertialMatrix(double *coordG)setOfAtoms
copyFrom(const int beginAtom, const int EndAtom, const setOfAtoms &atoms)setOfAtoms
findMinMax(double *atomMin, double *atomMax)setOfAtoms
findNumberOfAtoms(std::ifstream &data)setOfAtoms
fixConnectivity(const std::vector< int > &reOrder)setOfAtoms
fragmentName(const int i) const setOfAtoms [inline]
fragmentName(const int i)setOfAtoms [inline]
getAtomName(const int i) const setOfAtoms [inline]
getElement(const int i) const setOfAtoms [inline]
getElement(const int i)setOfAtoms [inline]
getName(const int i) const setOfAtoms [inline]
getNumberOfAtoms() const setOfAtoms [inline]
getNumberOfFragments()setOfAtoms
numberOfAA() const setOfAtoms [inline]
numberOfAtoms() const setOfAtoms [inline]
numberOfFragements() const setOfAtoms [inline]
numberOfFragments() const setOfAtoms [inline]
readQCIFile(std::ifstream &data)setOfAtoms
readXYZFile(std::ifstream &data)setOfAtoms
reset()setOfAtoms
setElement(const int i)setOfAtoms [inline]
setNumberOfAtoms(const int size)setOfAtoms
setOfAtoms()setOfAtoms
setOfAtoms(const int size)setOfAtoms
swap(const int i, const int j)setOfAtoms
TelementBase typedefsetOfAtoms
writeQCIFile(std::ofstream &out, std::vector< int > &index)setOfAtoms
writeQCIFile(std::ofstream &out)setOfAtoms
writeVMDFile(std::ofstream &out, const std::vector< std::string > &color)setOfAtoms
writeXYZFile(std::ofstream &out, std::vector< int > &index)setOfAtoms
writeXYZFile(std::ofstream &out)setOfAtoms
writeXYZFile(std::ofstream &out, double *H)setOfAtoms
writeXYZFile(std::ofstream &out, double *H, const std::vector< int > &index)setOfAtoms
writeXYZPosition(std::ofstream &out, double *H)setOfAtoms
~setOfAtoms()setOfAtoms


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