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AtomNumEqualsQueryAtom(...)
AtomNumEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where AtomNum is equal to the target value. |
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AtomNumGreaterQueryAtom(...)
AtomNumGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where AtomNum is equal to the target value. |
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AtomNumLessQueryAtom(...)
AtomNumLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where AtomNum is less than the target value. |
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ExplicitDegreeEqualsQueryAtom(...)
ExplicitDegreeEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where ExplicitDegree is equal to the target value. |
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ExplicitDegreeGreaterQueryAtom(...)
ExplicitDegreeGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where ExplicitDegree is equal to the target value. |
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ExplicitDegreeLessQueryAtom(...)
ExplicitDegreeLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where ExplicitDegree is less than the target value. |
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ExplicitValenceEqualsQueryAtom(...)
ExplicitValenceEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where ExplicitValence is equal to the target value. |
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ExplicitValenceGreaterQueryAtom(...)
ExplicitValenceGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where ExplicitValence is equal to the target value. |
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ExplicitValenceLessQueryAtom(...)
ExplicitValenceLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where ExplicitValence is less than the target value. |
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FormalChargeEqualsQueryAtom(...)
FormalChargeEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where FormalCharge is equal to the target value. |
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FormalChargeGreaterQueryAtom(...)
FormalChargeGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where FormalCharge is equal to the target value. |
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FormalChargeLessQueryAtom(...)
FormalChargeLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where FormalCharge is less than the target value. |
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HCountEqualsQueryAtom(...)
HCountEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where HCount is equal to the target value. |
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HCountGreaterQueryAtom(...)
HCountGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where HCount is equal to the target value. |
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HCountLessQueryAtom(...)
HCountLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where HCount is less than the target value. |
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HasBoolPropWithValueQueryAtom(...)
HasBoolPropWithValueQueryAtom( (str)propname, (bool)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches when the propery 'propname' has the specified boolean value. |
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HasBoolPropWithValueQueryBond(...)
HasBoolPropWithValueQueryBond( (str)propname, (bool)val [, (bool)negate=False]) -> QueryBond :
Returns a QueryBond that matches when the propery 'propname' has the specified boolean value. |
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HasDoublePropWithValueQueryAtom(...)
HasDoublePropWithValueQueryAtom( (str)propname, (float)val [, (bool)negate=False [, (float)tolerance=0.0]]) -> QueryAtom :
Returns a QueryAtom that matches when the propery 'propname' has the specified value +- tolerance |
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HasDoublePropWithValueQueryBond(...)
HasDoublePropWithValueQueryBond( (str)propname, (float)val [, (bool)negate=False [, (float)tolerance=0.0]]) -> QueryBond :
Returns a QueryBond that matches when the propery 'propname' has the specified value +- tolerance |
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HasIntPropWithValueQueryAtom(...)
HasIntPropWithValueQueryAtom( (str)propname, (int)val [, (bool)negate=False [, (int)tolerance=0]]) -> QueryAtom :
Returns a QueryAtom that matches when the propery 'propname' has the specified int value. |
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HasIntPropWithValueQueryBond(...)
HasIntPropWithValueQueryBond( (str)propname, (int)val [, (bool)negate=False [, (int)tolerance=0]]) -> QueryBond :
Returns a QueryBond that matches when the propery 'propname' has the specified int value. |
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HasPropQueryAtom(...)
HasPropQueryAtom( (str)propname [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches when the propery 'propname' exists in the atom. |
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HasPropQueryBond(...)
HasPropQueryBond( (str)propname [, (bool)negate=False]) -> QueryBond :
Returns a QueryBond that matches when the propery 'propname' exists in the bond. |
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HasStringPropWithValueQueryAtom(...)
HasStringPropWithValueQueryAtom( (str)propname, (str)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches when the propery 'propname' has the specified string value. |
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HasStringPropWithValueQueryBond(...)
HasStringPropWithValueQueryBond( (str)propname, (str)val [, (bool)negate=False]) -> QueryBond :
Returns a QueryBond that matches when the propery 'propname' has the specified string value. |
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HybridizationEqualsQueryAtom(...)
HybridizationEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where Hybridization is equal to the target value. |
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HybridizationGreaterQueryAtom(...)
HybridizationGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where Hybridization is equal to the target value. |
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HybridizationLessQueryAtom(...)
HybridizationLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where Hybridization is less than the target value. |
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InNRingsEqualsQueryAtom(...)
InNRingsEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where InNRings is equal to the target value. |
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InNRingsGreaterQueryAtom(...)
InNRingsGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where InNRings is equal to the target value. |
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InNRingsLessQueryAtom(...)
InNRingsLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where InNRings is less than the target value. |
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IsAliphaticQueryAtom(...)
IsAliphaticQueryAtom([ (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms when IsAliphatic is True. |
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IsAromaticQueryAtom(...)
IsAromaticQueryAtom([ (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms when IsAromatic is True. |
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IsInRingQueryAtom(...)
IsInRingQueryAtom([ (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms when IsInRing is True. |
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IsUnsaturatedQueryAtom(...)
IsUnsaturatedQueryAtom([ (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms when IsUnsaturated is True. |
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IsotopeEqualsQueryAtom(...)
IsotopeEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where Isotope is equal to the target value. |
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IsotopeGreaterQueryAtom(...)
IsotopeGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where Isotope is equal to the target value. |
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IsotopeLessQueryAtom(...)
IsotopeLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where Isotope is less than the target value. |
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MassEqualsQueryAtom(...)
MassEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where Mass is equal to the target value. |
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MassGreaterQueryAtom(...)
MassGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where Mass is equal to the target value. |
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MassLessQueryAtom(...)
MassLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where Mass is less than the target value. |
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MinRingSizeEqualsQueryAtom(...)
MinRingSizeEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where MinRingSize is equal to the target value. |
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MinRingSizeGreaterQueryAtom(...)
MinRingSizeGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where MinRingSize is equal to the target value. |
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MinRingSizeLessQueryAtom(...)
MinRingSizeLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where MinRingSize is less than the target value. |
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RingBondCountEqualsQueryAtom(...)
RingBondCountEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where RingBondCount is equal to the target value. |
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RingBondCountGreaterQueryAtom(...)
RingBondCountGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where RingBondCount is equal to the target value. |
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RingBondCountLessQueryAtom(...)
RingBondCountLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where RingBondCount is less than the target value. |
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TotalDegreeEqualsQueryAtom(...)
TotalDegreeEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where TotalDegree is equal to the target value. |
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TotalDegreeGreaterQueryAtom(...)
TotalDegreeGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where TotalDegree is equal to the target value. |
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TotalDegreeLessQueryAtom(...)
TotalDegreeLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where TotalDegree is less than the target value. |
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TotalValenceEqualsQueryAtom(...)
TotalValenceEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where TotalValence is equal to the target value. |
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TotalValenceGreaterQueryAtom(...)
TotalValenceGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where TotalValence is equal to the target value. |
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TotalValenceLessQueryAtom(...)
TotalValenceLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
Returns a QueryAtom that matches atoms where TotalValence is less than the target value. |
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