Package chemaxon.struc
Class QueryBond
- java.lang.Object
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- chemaxon.struc.MolBond
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- chemaxon.struc.QueryBond
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- All Implemented Interfaces:
StereoConstants
,Serializable
@PublicAPI public class QueryBond extends MolBond
Chemical bond.- Since:
- Marvin 3.4, 06/04/2004
- See Also:
- Serialized Form
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Field Summary
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Fields inherited from class chemaxon.struc.MolBond
ANY, AROMATIC, BOLD, CCLENGTH, CONJUGATED, COORDINATE, 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_OR_AROMATIC, SINGLE_OR_DOUBLE, STEREO_MASK, STEREO1_MASK, STEREO2_CARE, TOPOLOGY_CHAIN, TOPOLOGY_MASK, TOPOLOGY_RING, TYPE_MASK, UP, WAVY
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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
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Constructor Summary
Constructors Constructor Description QueryBond(MolAtom a1, MolAtom a2)
Construct an any bond between two atoms.QueryBond(MolAtom a1, MolAtom a2, int flags)
Construct an any bond between two atoms.QueryBond(MolAtom a1, MolAtom a2, String s)
Construct a query bond between two atoms.QueryBond(QueryBond b)
Copy constructor.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description Object
clone()
Make a copy of this object.MolBond
cloneBond(MolAtom a1, MolAtom a2)
Clones this bond.String
getQuerystr()
Gets the query properties.boolean
haveEqualProperties(MolBond e)
Checks if two bonds have the same properties.void
setQuerystr(String s)
Sets the query string.-
Methods inherited from class chemaxon.struc.MolBond
calcOrderFromLength, calcOrderFromValence, calcStereo2, calcStereo2, calcStereo2, clearProperties, containsPropertyKey, desiredLength, getAtom1, getAtom2, getBondType, getCTAtom1, getCTAtom4, getDesiredLength, getDesiredLength, getFlags, getLength, getLock, getOtherAtom, getParent, getProperty, getSetSeq, getStereo1, getType, isBold, isCollinear, isConjugated, isCoordinate, isHashed, isPositionVariation, isQuery, isRemovable, overridesAtMerge, propertyCount, propertyKeySet, propertySet, putProperty, removeProperty, setFlags, setFlags, setSetSeq, setStereo2Flags, setType, stepWedge, swap, toString, transformCT
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Constructor Detail
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QueryBond
public QueryBond(MolAtom a1, MolAtom a2)
Construct an any bond between two atoms.- Parameters:
a1
- the first atoma2
- the second atom
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QueryBond
public QueryBond(MolAtom a1, MolAtom a2, int flags)
Construct an any bond between two atoms.- Parameters:
a1
- the first atoma2
- the second atomflags
- bond type and other flags
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QueryBond
public QueryBond(MolAtom a1, MolAtom a2, String s)
Construct a query bond between two atoms.- Parameters:
a1
- the first atoma2
- the second atoms
- the query string
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QueryBond
public QueryBond(QueryBond b)
Copy constructor.- Parameters:
b
- the original bond- Since:
- 3.5.2, 12/15/2004
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Method Detail
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getQuerystr
public String getQuerystr()
Gets the query properties.- Overrides:
getQuerystr
in classMolBond
- Returns:
- the query string
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setQuerystr
public void setQuerystr(String s)
Sets the query string.- Parameters:
s
- the query string
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haveEqualProperties
public boolean haveEqualProperties(MolBond e)
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
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cloneBond
public MolBond cloneBond(MolAtom a1, MolAtom a2)
Clones this bond. Query string, bond type, stereo, topology and reacting center information are cloned with the bond.
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