GromacsTopFile Member List

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

getAngle(int num, int *atomi, int *atomj, int *atomk, int *angletype) const	GromacsTopFile
getAngleParams(int num, Real *th0, Real *kth, int *funct) const	GromacsTopFile
getAtom(int num, int *residue_number, char *residue_name, char *atom_name, char *atom_type, int *atom_typenum, Real *charge, Real *mass) const	GromacsTopFile
getAtomParams(int num, char *type) const	GromacsTopFile	inline
getBond(int num, int *atomi, int *atomj, int *bondtype) const	GromacsTopFile
getBondParams(int num, Real *b0, Real *kB, int *funct) const	GromacsTopFile
getDihedral(int num, int *atomi, int *atomj, int *atomk, int *atoml, int *type) const	GromacsTopFile
getDihedralParams(int num, Real *c, int *mult, int *funct) const	GromacsTopFile
getExclusions(int *, int *) const	GromacsTopFile
getNumAngleParams() const	GromacsTopFile	inline
getNumAngles() const	GromacsTopFile
getNumAtomParams() const	GromacsTopFile	inline
getNumAtoms() const	GromacsTopFile
getNumBondParams() const	GromacsTopFile	inline
getNumBonds() const	GromacsTopFile
getNumDihedralParams() const	GromacsTopFile	inline
getNumDihedrals() const	GromacsTopFile
getNumExclusions() const	GromacsTopFile
getNumGaussPair() const	GromacsTopFile
getNumLJPair() const	GromacsTopFile
getNumPair() const	GromacsTopFile
getPairGaussArrays2(int *indexA, int *indexB, Real *gaussA, Real *gaussMu1, Real *gaussSigma1, Real *gaussMu2, Real *gaussSigma2, Real *gaussRepulsive)	GromacsTopFile
getPairLJArrays2(int *indexA, int *indexB, Real *pairC6, Real *pairC12)	GromacsTopFile
getSystemName() const	GromacsTopFile	inline
getVDWParams(int typea, int typeb, Real *c6, Real *c12, Real *c6pair, Real *c7) const	GromacsTopFile
GromacsTopFile(char *filename)	GromacsTopFile