public class QueryBond extends Bond
QueryBond objects are derived from Bond objects, so they can be added to molecules and the like, but they have much fancier querying capabilities.
Bond.BondDir, Bond.BondStereo, Bond.BondType
Modifier | Constructor and Description |
---|---|
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QueryBond() |
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QueryBond(Bond.BondType bT) |
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QueryBond(Bond other) |
protected |
QueryBond(long cPtr,
boolean cMemoryOwn) |
|
QueryBond(QueryBond other) |
Modifier and Type | Method and Description |
---|---|
Bond |
copy() |
void |
delete() |
void |
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what)
expands our current query
|
void |
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what,
CompositeQueryType how)
expands our current query
|
void |
expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what,
CompositeQueryType how,
boolean maintainOrder)
expands our current query
|
protected void |
finalize() |
protected static long |
getCPtr(QueryBond obj) |
SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t |
getQuery() |
boolean |
hasQuery() |
boolean |
QueryMatch(QueryBond what) |
void |
setBondDir(Bond.BondDir bD) |
void |
setBondType(Bond.BondType bT) |
void |
setQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what) |
DetermineBondWedgeState, getBeginAtom, getBeginAtomIdx, getBondDir, getBondType, getBondTypeAsDouble, getCPtr, getEndAtom, getEndAtomIdx, getIdx, getIsAromatic, getIsConjugated, getOtherAtom, getOtherAtomIdx, getOwningMol, getProp, getStereo, getStereoAtoms, hasOwningMol, IsInRing, IsInRingSize, setBeginAtomIdx, setEndAtomIdx, setIdx, setIsAromatic, setIsConjugated, setOwningMol, setStereo, setStereoAtoms, updatePropertyCache, updatePropertyCache
clear, clearComputedProps, clearProp, getCPtr, getDict, getPropList, getPropList, getPropList, hasProp, setProp, setProp, updateProps, updateProps
protected QueryBond(long cPtr, boolean cMemoryOwn)
public QueryBond()
public QueryBond(Bond.BondType bT)
public QueryBond(Bond other)
public QueryBond(QueryBond other)
protected static long getCPtr(QueryBond obj)
public Bond copy()
public void setBondType(Bond.BondType bT)
setBondType
in class Bond
public void setBondDir(Bond.BondDir bD)
setBondDir
in class Bond
public boolean QueryMatch(QueryBond what)
public SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t getQuery()
public void setQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what)
public void expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what, CompositeQueryType how, boolean maintainOrder)
expands our current query
expandQuery
in class Bond
what
- the Queries::Query to be added
how the operator to be used in the expansion
maintainOrder (optional) flags whether the relative order of the queries needs to be maintained, if this is false, the order is reversed
public void expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what, CompositeQueryType how)
expands our current query
expandQuery
in class Bond
what
- the Queries::Query to be added
how the operator to be used in the expansion
maintainOrder (optional) flags whether the relative order of the queries needs to be maintained, if this is false, the order is reversed
public void expandQuery(SWIGTYPE_p_Queries__QueryT_int_RDKit__Bond_const_p_true_t what)
expands our current query
expandQuery
in class Bond
what
- the Queries::Query to be added
how the operator to be used in the expansion
maintainOrder (optional) flags whether the relative order of the queries needs to be maintained, if this is false, the order is reversed