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DENOPTIM
denoptim.integration.tinker.TinkerMolecule Member List

This is the complete list of members for denoptim.integration.tinker.TinkerMolecule, including all inherited members.

addAtom(TinkerAtom ta)denoptim.integration.tinker.TinkerMolecule
addBond(int a1, int a2)denoptim.integration.tinker.TinkerMolecule
addMolecule(TinkerMolecule tmol2)denoptim.integration.tinker.TinkerMolecule
clone()denoptim.integration.tinker.TinkerMolecule
debugdenoptim.integration.tinker.TinkerMoleculeprivate
deepCopy()denoptim.integration.tinker.TinkerMolecule
getAtom(int pos)denoptim.integration.tinker.TinkerMolecule
getAtoms()denoptim.integration.tinker.TinkerMolecule
getBondAdd()denoptim.integration.tinker.TinkerMolecule
getBondDel()denoptim.integration.tinker.TinkerMolecule
getConnectedAtoms(int pos)denoptim.integration.tinker.TinkerMolecule
getLastAtomNumber()denoptim.integration.tinker.TinkerMolecule
getName()denoptim.integration.tinker.TinkerMolecule
isConnected(int atm1, int atm2)denoptim.integration.tinker.TinkerMolecule
isTorsionUsed(int t1, int t2)denoptim.integration.tinker.TinkerMolecule
lstAtomsdenoptim.integration.tinker.TinkerMoleculeprivate
molNamedenoptim.integration.tinker.TinkerMoleculepackage
printIC()denoptim.integration.tinker.TinkerMolecule
set3DCoordinates(ArrayList< double[]> coords)denoptim.integration.tinker.TinkerMolecule
setAtoms(ArrayList< TinkerAtom > lstAtoms)denoptim.integration.tinker.TinkerMolecule
setBondPairs(ArrayList< int[]> zdel, ArrayList< int[]> zadd)denoptim.integration.tinker.TinkerMolecule
setName(String molName)denoptim.integration.tinker.TinkerMolecule
TinkerMolecule()denoptim.integration.tinker.TinkerMolecule
TinkerMolecule(String molName, ArrayList< int[]> zadd, ArrayList< int[]> zdel, ArrayList< TinkerAtom > lstAtoms)denoptim.integration.tinker.TinkerMolecule
zadddenoptim.integration.tinker.TinkerMoleculepackage
zdeldenoptim.integration.tinker.TinkerMoleculepackage