rdkit.Chem.rdqueries

Package rdkit :: Package Chem :: Module rdqueries |
[hide private]
[frames] | no frames]

# Module rdqueries

    Module containing RDKit functionality for querying molecules.

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

Variables | [hide private]
| __package__ = `None` hash(x)

Function Details | [hide private]

### AtomNumEqualsQueryAtom(...) |
    AtomNumEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where AtomNum is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* AtomNumEqualsQueryAtom(int [,bool=False])

### AtomNumGreaterQueryAtom(...) |
    AtomNumGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where AtomNum is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* AtomNumGreaterQueryAtom(int [,bool=False])

### AtomNumLessQueryAtom(...) |
    AtomNumLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where AtomNum is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* AtomNumLessQueryAtom(int [,bool=False])

### ExplicitDegreeEqualsQueryAtom(...) |
    ExplicitDegreeEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where ExplicitDegree is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* ExplicitDegreeEqualsQueryAtom(int [,bool=False])

### ExplicitDegreeGreaterQueryAtom(...) |
    ExplicitDegreeGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where ExplicitDegree is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* ExplicitDegreeGreaterQueryAtom(int [,bool=False])

### ExplicitDegreeLessQueryAtom(...) |
    ExplicitDegreeLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where ExplicitDegree is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* ExplicitDegreeLessQueryAtom(int [,bool=False])

### ExplicitValenceEqualsQueryAtom(...) |
    ExplicitValenceEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where ExplicitValence is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* ExplicitValenceEqualsQueryAtom(int [,bool=False])

### ExplicitValenceGreaterQueryAtom(...) |
    ExplicitValenceGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where ExplicitValence is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* ExplicitValenceGreaterQueryAtom(int [,bool=False])

### ExplicitValenceLessQueryAtom(...) |
    ExplicitValenceLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where ExplicitValence is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* ExplicitValenceLessQueryAtom(int [,bool=False])

### FormalChargeEqualsQueryAtom(...) |
    FormalChargeEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where FormalCharge is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* FormalChargeEqualsQueryAtom(int [,bool=False])

### FormalChargeGreaterQueryAtom(...) |
    FormalChargeGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where FormalCharge is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* FormalChargeGreaterQueryAtom(int [,bool=False])

### FormalChargeLessQueryAtom(...) |
    FormalChargeLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where FormalCharge is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* FormalChargeLessQueryAtom(int [,bool=False])

### HCountEqualsQueryAtom(...) |
    HCountEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where HCount is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* HCountEqualsQueryAtom(int [,bool=False])

### HCountGreaterQueryAtom(...) |
    HCountGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where HCount is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* HCountGreaterQueryAtom(int [,bool=False])

### HCountLessQueryAtom(...) |
    HCountLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where HCount is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* HCountLessQueryAtom(int [,bool=False])

### HasBoolPropWithValueQueryAtom(...) |
    HasBoolPropWithValueQueryAtom( (str)propname, (bool)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches when the propery 'propname' has the specified boolean value.

        C++ signature :
            RDKit::QueryAtom* HasBoolPropWithValueQueryAtom(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,bool [,bool=False])

### HasBoolPropWithValueQueryBond(...) |
    HasBoolPropWithValueQueryBond( (str)propname, (bool)val [, (bool)negate=False]) -> QueryBond :
        Returns a QueryBond that matches when the propery 'propname' has the specified boolean value.

        C++ signature :
            RDKit::QueryBond* HasBoolPropWithValueQueryBond(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,bool [,bool=False])

### 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

        C++ signature :
            RDKit::QueryAtom* HasDoublePropWithValueQueryAtom(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double [,bool=False [,double=0.0]])

### 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

        C++ signature :
            RDKit::QueryBond* HasDoublePropWithValueQueryBond(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,double [,bool=False [,double=0.0]])

### 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.

        C++ signature :
            RDKit::QueryAtom* HasIntPropWithValueQueryAtom(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,int [,bool=False [,int=0]])

### 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.

        C++ signature :
            RDKit::QueryBond* HasIntPropWithValueQueryBond(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,int [,bool=False [,int=0]])

### HasPropQueryAtom(...) |
    HasPropQueryAtom( (str)propname [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches when the propery 'propname' exists in the atom.

        C++ signature :
            RDKit::QueryAtom* HasPropQueryAtom(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=False])

### HasPropQueryBond(...) |
    HasPropQueryBond( (str)propname [, (bool)negate=False]) -> QueryBond :
        Returns a QueryBond that matches when the propery 'propname' exists in the bond.

        C++ signature :
            RDKit::QueryBond* HasPropQueryBond(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=False])

    HasPropQueryBond( (str)propname [, (bool)negate=False]) -> QueryBond :
        Returns a QueryBond that matches when the propery 'propname' exists in the bond.

        C++ signature :
            RDKit::QueryBond* HasPropQueryBond(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=False])

    HasPropQueryBond( (str)propname [, (bool)negate=False]) -> QueryBond :
        Returns a QueryBond that matches when the propery 'propname' exists in the bond.

        C++ signature :
            RDKit::QueryBond* HasPropQueryBond(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=False])

### HasStringPropWithValueQueryAtom(...) |
    HasStringPropWithValueQueryAtom( (str)propname, (str)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches when the propery 'propname' has the specified string value.

        C++ signature :
            RDKit::QueryAtom* HasStringPropWithValueQueryAtom(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=False])

### HasStringPropWithValueQueryBond(...) |
    HasStringPropWithValueQueryBond( (str)propname, (str)val [, (bool)negate=False]) -> QueryBond :
        Returns a QueryBond that matches when the propery 'propname' has the specified string value.

        C++ signature :
            RDKit::QueryBond* HasStringPropWithValueQueryBond(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=False])

### HybridizationEqualsQueryAtom(...) |
    HybridizationEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where Hybridization is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* HybridizationEqualsQueryAtom(int [,bool=False])

### HybridizationGreaterQueryAtom(...) |
    HybridizationGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where Hybridization is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* HybridizationGreaterQueryAtom(int [,bool=False])

### HybridizationLessQueryAtom(...) |
    HybridizationLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where Hybridization is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* HybridizationLessQueryAtom(int [,bool=False])

### InNRingsEqualsQueryAtom(...) |
    InNRingsEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where InNRings is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* InNRingsEqualsQueryAtom(int [,bool=False])

### InNRingsGreaterQueryAtom(...) |
    InNRingsGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where InNRings is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* InNRingsGreaterQueryAtom(int [,bool=False])

### InNRingsLessQueryAtom(...) |
    InNRingsLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where InNRings is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* InNRingsLessQueryAtom(int [,bool=False])

### IsAliphaticQueryAtom(...) |
    IsAliphaticQueryAtom([  (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms when IsAliphatic is True.

        C++ signature :
            RDKit::QueryAtom* IsAliphaticQueryAtom([ bool=False])

### IsAromaticQueryAtom(...) |
    IsAromaticQueryAtom([  (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms when IsAromatic is True.

        C++ signature :
            RDKit::QueryAtom* IsAromaticQueryAtom([ bool=False])

### IsInRingQueryAtom(...) |
    IsInRingQueryAtom([  (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms when IsInRing is True.

        C++ signature :
            RDKit::QueryAtom* IsInRingQueryAtom([ bool=False])

### IsUnsaturatedQueryAtom(...) |
    IsUnsaturatedQueryAtom([  (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms when IsUnsaturated is True.

        C++ signature :
            RDKit::QueryAtom* IsUnsaturatedQueryAtom([ bool=False])

### IsotopeEqualsQueryAtom(...) |
    IsotopeEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where Isotope is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* IsotopeEqualsQueryAtom(int [,bool=False])

### IsotopeGreaterQueryAtom(...) |
    IsotopeGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where Isotope is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* IsotopeGreaterQueryAtom(int [,bool=False])

### IsotopeLessQueryAtom(...) |
    IsotopeLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where Isotope is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* IsotopeLessQueryAtom(int [,bool=False])

### MassEqualsQueryAtom(...) |
    MassEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where Mass is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* MassEqualsQueryAtom(int [,bool=False])

### MassGreaterQueryAtom(...) |
    MassGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where Mass is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* MassGreaterQueryAtom(int [,bool=False])

### MassLessQueryAtom(...) |
    MassLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where Mass is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* MassLessQueryAtom(int [,bool=False])

### MinRingSizeEqualsQueryAtom(...) |
    MinRingSizeEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where MinRingSize is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* MinRingSizeEqualsQueryAtom(int [,bool=False])

### MinRingSizeGreaterQueryAtom(...) |
    MinRingSizeGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where MinRingSize is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* MinRingSizeGreaterQueryAtom(int [,bool=False])

### MinRingSizeLessQueryAtom(...) |
    MinRingSizeLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where MinRingSize is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* MinRingSizeLessQueryAtom(int [,bool=False])

### RingBondCountEqualsQueryAtom(...) |
    RingBondCountEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where RingBondCount is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* RingBondCountEqualsQueryAtom(int [,bool=False])

### RingBondCountGreaterQueryAtom(...) |
    RingBondCountGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where RingBondCount is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* RingBondCountGreaterQueryAtom(int [,bool=False])

### RingBondCountLessQueryAtom(...) |
    RingBondCountLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where RingBondCount is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* RingBondCountLessQueryAtom(int [,bool=False])

### TotalDegreeEqualsQueryAtom(...) |
    TotalDegreeEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where TotalDegree is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* TotalDegreeEqualsQueryAtom(int [,bool=False])

### TotalDegreeGreaterQueryAtom(...) |
    TotalDegreeGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where TotalDegree is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* TotalDegreeGreaterQueryAtom(int [,bool=False])

### TotalDegreeLessQueryAtom(...) |
    TotalDegreeLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where TotalDegree is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* TotalDegreeLessQueryAtom(int [,bool=False])

### TotalValenceEqualsQueryAtom(...) |
    TotalValenceEqualsQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where TotalValence is equal to the target value.

        C++ signature :
            RDKit::QueryAtom* TotalValenceEqualsQueryAtom(int [,bool=False])

### TotalValenceGreaterQueryAtom(...) |
    TotalValenceGreaterQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where TotalValence is equal to the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* TotalValenceGreaterQueryAtom(int [,bool=False])

### TotalValenceLessQueryAtom(...) |
    TotalValenceLessQueryAtom( (int)val [, (bool)negate=False]) -> QueryAtom :
        Returns a QueryAtom that matches atoms where TotalValence is less than the target value.
        NOTE: the direction of comparison is reversed relative to the C++ API

        C++ signature :
            RDKit::QueryAtom* TotalValenceLessQueryAtom(int [,bool=False])