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wims  3.65+svn20090927
WIMSchem.Molecule Member List
This is the complete list of members for WIMSchem.Molecule, including all inherited members.
AddAtom(String Element, double X, double Y)WIMSchem.Molecule [inline]
AddAtom(String Element, double X, double Y, int Charge, int Unpaired)WIMSchem.Molecule [inline]
AddBond(int From, int To, int Order)WIMSchem.Molecule [inline]
AddBond(int From, int To, int Order, int Type)WIMSchem.Molecule [inline]
Append(Molecule Frag)WIMSchem.Molecule [inline]
AtomAdjCount(int N)WIMSchem.Molecule [inline]
AtomAdjList(int N)WIMSchem.Molecule [inline]
AtomCharge(int N)WIMSchem.Molecule [inline]
AtomChirality(int N)WIMSchem.Molecule [inline]
AtomConnComp(int N)WIMSchem.Molecule [inline]
AtomElement(int N)WIMSchem.Molecule [inline]
AtomExplicit(int N)WIMSchem.Molecule [inline]
AtomHExplicit(int N)WIMSchem.Molecule [inline]
AtomHydrogens(int N)WIMSchem.Molecule [inline]
AtomicNumber(int N)WIMSchem.Molecule [inline, package]
AtomicNumber(String El)WIMSchem.Molecule [inline, package]
AtomMapNum(int N)WIMSchem.Molecule [inline]
AtomPriority(int N)WIMSchem.Molecule [inline]
AtomRingBlock(int N)WIMSchem.Molecule [inline]
atomsWIMSchem.Molecule [package]
AtomUnpaired(int N)WIMSchem.Molecule [inline]
AtomX(int N)WIMSchem.Molecule [inline]
AtomY(int N)WIMSchem.Molecule [inline]
BondFrom(int N)WIMSchem.Molecule [inline]
BondInRing(int N)WIMSchem.Molecule [inline]
BondOrder(int N)WIMSchem.Molecule [inline]
BondOther(int N, int Ref)WIMSchem.Molecule [inline]
bondsWIMSchem.Molecule [package]
BondStereo(int N)WIMSchem.Molecule [inline]
BondTo(int N)WIMSchem.Molecule [inline]
BondType(int N)WIMSchem.Molecule [inline]
BONDTYPE_DECLINEDWIMSchem.Molecule [static]
BONDTYPE_INCLINEDWIMSchem.Molecule [static]
BONDTYPE_NORMALWIMSchem.Molecule [static]
BONDTYPE_UNKNOWNWIMSchem.Molecule [static]
BuildChirality()WIMSchem.Molecule [inline, package]
BuildCisTrans()WIMSchem.Molecule [inline, package]
BuildConnComp()WIMSchem.Molecule [inline, package]
BuildGraph()WIMSchem.Molecule [inline, package]
BuildPriority()WIMSchem.Molecule [inline, package]
BuildRingID()WIMSchem.Molecule [inline, package]
chiralWIMSchem.Molecule [package]
cistransWIMSchem.Molecule [package]
Clone()WIMSchem.Molecule [inline]
CompareTo(Molecule Other)WIMSchem.Molecule [inline]
compIDWIMSchem.Molecule [package]
DeleteAtomAndBonds(int N)WIMSchem.Molecule [inline]
DeleteBond(int N)WIMSchem.Molecule [inline]
DetermineMinMax()WIMSchem.Molecule [inline, package]
Dump()WIMSchem.Molecule [inline]
ELEMENTSWIMSchem.Molecule [static]
FindBond(int A1, int A2)WIMSchem.Molecule [inline]
FindRingSize(int Size)WIMSchem.Molecule [inline]
graphWIMSchem.Molecule [package]
HEXPLICIT_UNKNOWNWIMSchem.Molecule [static]
HYVALENCE_ELWIMSchem.Molecule [package, static]
HYVALENCE_VALWIMSchem.Molecule [package, static]
invalMinMaxWIMSchem.Molecule [package]
MaxX()WIMSchem.Molecule [inline]
maxXWIMSchem.Molecule [package]
maxYWIMSchem.Molecule [package]
MaxY()WIMSchem.Molecule [inline]
MinX()WIMSchem.Molecule [inline]
minXWIMSchem.Molecule [package]
MinY()WIMSchem.Molecule [inline]
minYWIMSchem.Molecule [package]
Molecule()WIMSchem.Molecule [inline]
NumAtoms()WIMSchem.Molecule [inline]
NumBonds()WIMSchem.Molecule [inline]
priorityWIMSchem.Molecule [package]
RangeX()WIMSchem.Molecule [inline]
RangeY()WIMSchem.Molecule [inline]
RecursiveRingFind(int[] Path, int PSize, int Capacity, int RBlk, ArrayList< Object > Rings)WIMSchem.Molecule [inline, package]
ring5WIMSchem.Molecule [package]
ring6WIMSchem.Molecule [package]
ring7WIMSchem.Molecule [package]
ringIDWIMSchem.Molecule [package]
SetAtomCharge(int N, int Charge)WIMSchem.Molecule [inline]
SetAtomElement(int N, String Element)WIMSchem.Molecule [inline]
SetAtomHExplicit(int N, int HExplicit)WIMSchem.Molecule [inline]
SetAtomMapNum(int N, int MapNum)WIMSchem.Molecule [inline]
SetAtomPos(int N, double X, double Y)WIMSchem.Molecule [inline]
SetAtomUnpaired(int N, int Unpaired)WIMSchem.Molecule [inline]
SetBondFromTo(int N, int From, int To)WIMSchem.Molecule [inline]
SetBondOrder(int N, int Order)WIMSchem.Molecule [inline]
SetBondType(int N, int Type)WIMSchem.Molecule [inline]
SortAndGroup(int[] Val)WIMSchem.Molecule [inline, static]
STEREO_NEGWIMSchem.Molecule [static]
STEREO_NONEWIMSchem.Molecule [static]
STEREO_POSWIMSchem.Molecule [static]
STEREO_UNKNOWNWIMSchem.Molecule [static]
Subgraph(boolean[] Mask)WIMSchem.Molecule [inline]
ThetaObtuse(double Th1, double Th2)WIMSchem.Molecule [inline, package]
TrashGraph()WIMSchem.Molecule [inline, package]
TrashPriority()WIMSchem.Molecule [inline, package]
TrashStereo()WIMSchem.Molecule [inline, package]
WEIGHTSWIMSchem.Molecule [static]