rdkit.Chem.rdFMCS.MCSParameters

Package rdkit :: Package Chem :: Module rdFMCS :: Class MCSParameters |
[hide private]
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# Class MCSParameters

     object --+
              |
    ??.instance --+
                  |
                 MCSParameters

    Parameters controlling how the MCS is constructed

Instance Methods | [hide private]
SetAtomTyper(...) SetAtomTyper( (MCSParameters)self, (AtomCompare)comparator) -> None : sets the atom typer to be used. |
SetBondTyper(...) SetBondTyper( (MCSParameters)self, (BondCompare)comparator) -> None : sets the bond typer to be used. |
__init__(...) __init__( (object)arg1) -> None : |
__reduce__(...) helper for pickle |
Inherited from `unreachable.instance`: `__new__` Inherited from `object`: `__delattr__`, `__format__`, `__getattribute__`, `__hash__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__sizeof__`, `__str__`, `__subclasshook__`

Class Variables | [hide private]
| __instance_size__ = `104`

Properties | [hide private]
| AtomCompareParameters parameters for comparing atoms
| BondCompareParameters parameters for comparing bonds
| InitialSeed SMILES string to be used as the seed of the MCS
| MaximizeBonds toggles maximizing the number of bonds (instead of the number of atoms)
| Threshold fraction of the dataset that must contain the MCS
| Timeout timeout (in seconds) for the calculation
| Verbose toggles verbose mode
Inherited from `object`: `__class__`

Method Details | [hide private]

### SetAtomTyper(...) |
    SetAtomTyper( (MCSParameters)self, (AtomCompare)comparator) -> None :
        sets the atom typer to be used. The argument should be one of the members of the rdFMCS.AtomCompare class.

        C++ signature :
            void SetAtomTyper(RDKit::MCSParameters {lvalue},RDKit::AtomComparator)

### SetBondTyper(...) |
    SetBondTyper( (MCSParameters)self, (BondCompare)comparator) -> None :
        sets the bond typer to be used. The argument should be one of the members of the rdFMCS.BondCompare class.

        C++ signature :
            void SetBondTyper(RDKit::MCSParameters {lvalue},RDKit::BondComparator)

### __init__(...) (Constructor) |
    __init__( (object)arg1) -> None :

        C++ signature :
            void __init__(_object*)
Overrides: object.__init__

### __reduce__(...) |
    helper for pickle
Overrides: object.__reduce__ (inherited documentation)

Property Details | [hide private]

### AtomCompareParameters
    parameters for comparing atoms
Get Method: unreachable(...) Set Method: unreachable(...)

### BondCompareParameters
    parameters for comparing bonds
Get Method: unreachable(...) Set Method: unreachable(...)

### InitialSeed
    SMILES string to be used as the seed of the MCS
Get Method: unreachable(...) Set Method: unreachable(...)

### MaximizeBonds
    toggles maximizing the number of bonds (instead of the number of atoms)
Get Method: unreachable(...) Set Method: unreachable(...)

### Threshold
    fraction of the dataset that must contain the MCS
Get Method: unreachable(...) Set Method: unreachable(...)

### Timeout
    timeout (in seconds) for the calculation
Get Method: unreachable(...) Set Method: unreachable(...)

### Verbose
    toggles verbose mode
Get Method: unreachable(...) Set Method: unreachable(...)