Package chemaxon.struc
Class QueryBond
java.lang.Object
chemaxon.struc.MolBond
chemaxon.struc.QueryBond
- All Implemented Interfaces:
StereoConstants
,Serializable
Chemical bond.
- Since:
- Marvin 3.4, 06/04/2004
- See Also:
-
Field Summary
Fields inherited from class chemaxon.struc.MolBond
ANY, AROMATIC, BOLD, CCLENGTH, CONJUGATED, COORDINATE, DOUBLE, DOUBLE_OR_AROMATIC, DOWN, HASHED, HYDROGEN, RC_CHANGE, RC_MAKE_AND_CHANGE, RC_MAKE_OR_BREAK, RC_NOT_CENTER, RC_NOT_MODIFIED, RC_REACTING_CENTER, RC_UNMAPPED, REACTING_CENTER_MASK, SETSEQ_MAX, SETSEQ_OFF, SINGLE, SINGLE_OR_AROMATIC, SINGLE_OR_DOUBLE, STEREO_MASK, STEREO1_MASK, STEREO2_CARE, TOPOLOGY_CHAIN, TOPOLOGY_MASK, TOPOLOGY_RING, TRIPLE, TYPE_MASK, UP, WAVY
Fields inherited from interface chemaxon.struc.StereoConstants
ANTI, ATOMSTEREO_EITHER, ATOMSTEREO_MASK, ATOMSTEREO_NONE, ATOMSTEREO_SPECIFIC, CHIRALITY_M, CHIRALITY_MASK, CHIRALITY_P, CHIRALITY_r, CHIRALITY_R, CHIRALITY_s, CHIRALITY_S, CHIRALITYSUPPORT_ALL, CHIRALITYSUPPORT_ALL_POSSIBLE, CHIRALITYSUPPORT_NONE, CHIRALITYSUPPORT_SELECTED, CIS, CIS_TRANS, CTUMASK, CTUNKNOWN, CTUNSPEC, DBS_ALL, DBS_MARKED, DBS_NONE, ENDO, EXO, PARITY_ALLENE, PARITY_EITHER, PARITY_EVEN, PARITY_MASK, PARITY_NONE, PARITY_ODD, PARITY_TETRAHEDRAL, PARITY_UNSPEC, STGRP_ABS, STGRP_AND, STGRP_NONE, STGRP_OR, SYN, TRANS
-
Constructor Summary
ConstructorDescriptionConstruct an any bond between two atoms.Construct an any bond between two atoms.Construct a query bond between two atoms.Copy constructor. -
Method Summary
Modifier and TypeMethodDescriptionclone()
Make a copy of this object.Clones this bond.Gets the query properties.boolean
Checks if two bonds have the same properties.void
Sets the query string.Methods inherited from class chemaxon.struc.MolBond
calcOrderFromLength, calcOrderFromValence, calcStereo2, calcStereo2, calcStereo2, clearProperties, contains, containsPropertyKey, desiredLength, getAtom1, getAtom2, getBondType, getCTAtom1, getCTAtom4, getDesiredLength, getDesiredLength, getFlags, getLength, getOtherAtom, getParent, getProperty, getSetSeq, getStereo1, getType, isBold, isCollinear, isConjugated, isCoordinate, isHashed, isPositionVariation, isQuery, overridesAtMerge, propertyCount, propertyKeySet, propertySet, putProperty, removeProperty, setFlags, setFlags, setSetSeq, setStereo2Flags, setType, stepWedge, swap, toString, transformCT
-
Constructor Details
-
QueryBond
Construct an any bond between two atoms.- Parameters:
a1
- the first atoma2
- the second atom
-
QueryBond
Construct an any bond between two atoms.- Parameters:
a1
- the first atoma2
- the second atomflags
- bond type and other flags
-
QueryBond
Construct a query bond between two atoms.- Parameters:
a1
- the first atoma2
- the second atoms
- the query string
-
QueryBond
Copy constructor.- Parameters:
b
- the original bond- Since:
- 3.5.2, 12/15/2004
-
-
Method Details
-
getQuerystr
Gets the query properties.- Overrides:
getQuerystr
in classMolBond
- Returns:
- the query string
-
setQuerystr
Sets the query string.- Parameters:
s
- the query string
-
haveEqualProperties
Checks if two bonds have the same properties.- Overrides:
haveEqualProperties
in classMolBond
- Returns:
- true if they have the same properties, false otherwise
- Since:
- Marvin 3.4.1, 07/21/2004
-
cloneBond
Clones this bond. Query string, bond type, stereo, topology and reacting center information are cloned with the bond. -
clone
Make a copy of this object. Query string, bond type, stereo, topology and reacting center information are cloned with the bond.
-