public class Bond extends RDProps
Modifier and Type | Class and Description |
---|---|
static class |
Bond.BondDir |
static class |
Bond.BondStereo |
static class |
Bond.BondType |
Modifier | Constructor and Description |
---|---|
|
Bond() |
|
Bond(Bond.BondType bT) |
|
Bond(Bond other) |
protected |
Bond(long cPtr,
boolean cMemoryOwn) |
clear, clearComputedProps, clearProp, getCPtr, getDict, getPropList, getPropList, getPropList, hasProp, setProp, setProp, updateProps, updateProps
protected Bond(long cPtr, boolean cMemoryOwn)
public Bond()
public Bond(Bond.BondType bT)
public Bond(Bond other)
protected static long getCPtr(Bond obj)
public Bond copy()
public Bond.BondType getBondType()
public void setBondType(Bond.BondType bT)
public double getBondTypeAsDouble()
public void setIsAromatic(boolean what)
public boolean getIsAromatic()
public void setIsConjugated(boolean what)
public boolean getIsConjugated()
public boolean hasOwningMol()
public ROMol getOwningMol()
public void setOwningMol(ROMol other)
public long getIdx()
public void setIdx(long index)
sets our index within the ROMol
public long getBeginAtomIdx()
public long getEndAtomIdx()
public long getOtherAtomIdx(long thisIdx)
given the index of one Atom, returns the index of the other
public void setBeginAtomIdx(long what)
sets the index of our begin Atom
public void setEndAtomIdx(long what)
sets the index of our end Atom
public Atom getBeginAtom()
public Atom getEndAtom()
public Atom getOtherAtom(Atom what)
public boolean hasQuery()
public void setQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what)
public SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t getQuery()
public void expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what, CompositeQueryType how, boolean maintainOrder)
public void expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what, CompositeQueryType how)
public void expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what)
public void setBondDir(Bond.BondDir what)
public Bond.BondDir getBondDir()
public void setStereo(Bond.BondStereo what)
public Bond.BondStereo getStereo()
public void setStereoAtoms(long bgnIdx, long endIdx)
public Int_Vect getStereoAtoms()
public void updatePropertyCache(boolean strict)
calculates any of our lazy properties
public void updatePropertyCache()
calculates any of our lazy properties
public java.lang.String getProp(java.lang.String key)
public Bond.BondDir DetermineBondWedgeState(Int_Int_Map wedgeBonds, Conformer conf)
public boolean IsInRing()
public boolean IsInRingSize(int size)