Package org.jmol.modelset
Class Bond
- java.lang.Object
-
- org.jmol.util.Edge
-
- org.jmol.modelset.Bond
-
- All Implemented Interfaces:
SimpleEdge
- Direct Known Subclasses:
HBond
public class Bond extends Edge
-
-
Field Summary
Fields Modifier and Type Field Description Atomatom1Atomatom2shortcolixshortmadstatic intmyVisibilityFlagintshapeVisibilityFlags-
Fields inherited from class org.jmol.util.Edge
BOND_AROMATIC, BOND_AROMATIC_DOUBLE, BOND_AROMATIC_MASK, BOND_AROMATIC_SINGLE, BOND_COVALENT_DOUBLE, BOND_COVALENT_MASK, BOND_COVALENT_QUADRUPLE, BOND_COVALENT_QUINTUPLE, BOND_COVALENT_sextuple, BOND_COVALENT_SINGLE, BOND_COVALENT_TRIPLE, BOND_H_CALC, BOND_H_CALC_MASK, BOND_H_MINUS_3, BOND_H_MINUS_4, BOND_H_NUCLEOTIDE, BOND_H_PLUS_2, BOND_H_PLUS_3, BOND_H_PLUS_4, BOND_H_PLUS_5, BOND_H_REGULAR, BOND_HBOND_SHIFT, BOND_HYDROGEN_MASK, BOND_NEW, BOND_ORDER_ANY, BOND_ORDER_NULL, BOND_ORDER_UNSPECIFIED, BOND_PARTIAL_MASK, BOND_PARTIAL01, BOND_PARTIAL12, BOND_PARTIAL23, BOND_PARTIAL32, BOND_PYMOL_MULT, BOND_PYMOL_NOMULT, BOND_RENDER_SINGLE, BOND_STEREO_FAR, BOND_STEREO_MASK, BOND_STEREO_NEAR, BOND_STRUT, BOND_SULFUR_MASK, index, order, TYPE_ATROPISOMER, TYPE_ATROPISOMER_REV
-
-
Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description (package private) voiddeleteAtomReferences()SimpleNodegetAtom(int i)Get the respective atom, 0 or 1intgetAtomIndex1()intgetAtomIndex2()java.lang.StringgetCIPChirality(boolean doCalculate)Not implemented.intgetCovalentOrder()floatgetEnergy()java.lang.StringgetIdentity()AtomgetOtherAtom(Atom thisAtom)SimpleNodegetOtherNode(SimpleNode thisAtom)intgetValence()booleanis(int bondType)(package private) booleanisAromatic()booleanisCovalent()booleanisHydrogen()(package private) booleanisPartial()(package private) booleanisStereo()voidsetAtropisomerOptions(javajs.util.BS bsA, javajs.util.BS bsB)voidsetCIPChirality(int c)Not implemented.voidsetMad(short mad)voidsetOrder(int order)(package private) voidsetShapeVisibility(boolean isVisible)voidsetTranslucent(boolean isTranslucent, float translucentLevel)java.lang.StringtoString()-
Methods inherited from class org.jmol.util.Edge
getArgbHbondType, getAtropismNode, getAtropismOrder, getAtropismOrder12, getBondOrderFromFloat, getBondOrderFromString, getBondOrderNameFromOrder, getBondOrderNumberFromOrder, getBondType, getCmlBondOrder, getCovalentBondOrder, getPartialBondDotted, getPartialBondOrder, isAtropism, isOrderH
-
-
-
-
Method Detail
-
setMad
public void setMad(short mad)
-
setShapeVisibility
void setShapeVisibility(boolean isVisible)
-
getIdentity
public java.lang.String getIdentity()
-
isCovalent
public boolean isCovalent()
- Specified by:
isCovalentin interfaceSimpleEdge- Specified by:
isCovalentin classEdge
-
isHydrogen
public boolean isHydrogen()
- Specified by:
isHydrogenin classEdge
-
isStereo
boolean isStereo()
-
isPartial
boolean isPartial()
-
isAromatic
boolean isAromatic()
-
getEnergy
public float getEnergy()
-
getValence
public int getValence()
-
deleteAtomReferences
void deleteAtomReferences()
-
setTranslucent
public void setTranslucent(boolean isTranslucent, float translucentLevel)
-
setOrder
public void setOrder(int order)
-
getAtomIndex1
public int getAtomIndex1()
- Specified by:
getAtomIndex1in classEdge
-
getAtomIndex2
public int getAtomIndex2()
- Specified by:
getAtomIndex2in classEdge
-
getCovalentOrder
public int getCovalentOrder()
- Specified by:
getCovalentOrderin interfaceSimpleEdge- Specified by:
getCovalentOrderin classEdge- Returns:
- the bond order 1-4 if it is covalent, or 0 if not.
-
is
public boolean is(int bondType)
-
getOtherNode
public SimpleNode getOtherNode(SimpleNode thisAtom)
-
setAtropisomerOptions
public void setAtropisomerOptions(javajs.util.BS bsA, javajs.util.BS bsB)
-
getCIPChirality
public java.lang.String getCIPChirality(boolean doCalculate)
Not implemented.- Overrides:
getCIPChiralityin classEdge- Parameters:
doCalculate-- Returns:
- "" or "Z" or "E"
-
setCIPChirality
public void setCIPChirality(int c)
Not implemented.- Overrides:
setCIPChiralityin classEdge- Parameters:
c- [0:unknown; 1: Z; 2: E; 3: none]
-
toString
public java.lang.String toString()
- Overrides:
toStringin classjava.lang.Object
-
getAtom
public SimpleNode getAtom(int i)
Description copied from interface:SimpleEdgeGet the respective atom, 0 or 1- Returns:
- SimpleNode
-
-