rdkit.Chem.rdMMPA

Package rdkit :: Package Chem :: Module rdMMPA |
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# Module rdMMPA

    Module containing a C++ implementation of code for doing MMPA

Functions | [hide private]
FragmentMol(...) FragmentMol( (Mol)mol [, (int)maxCuts=3 [, (int)maxCutBonds=20 [, (str)pattern='[#6+0;!$(*=,#[!#6])]!@!=!#[*]' [, (bool)resultsAsMols=True]]]]) -> tuple : Does the fragmentation necessary for an MMPA analysis |

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

Function Details | [hide private]

### FragmentMol(...) |
    FragmentMol( (Mol)mol [, (int)maxCuts=3 [, (int)maxCutBonds=20 [, (str)pattern='[#6+0;!$(*=,#[!#6])]!@!=!#[*]' [, (bool)resultsAsMols=True]]]]) -> tuple :
        Does the fragmentation necessary for an MMPA analysis

        C++ signature :
            boost::python::tuple FragmentMol(RDKit::ROMol [,unsigned int=3 [,unsigned int=20 [,std::string='[#6+0;!$(*=,#[!#6])]!@!=!#[*]' [,bool=True]]]])

    FragmentMol( (Mol)mol, (int)minCuts, (int)maxCuts, (int)maxCutBonds [, (str)pattern='[#6+0;!$(*=,#[!#6])]!@!=!#[*]' [, (bool)resultsAsMols=True]]) -> tuple :
        Does the fragmentation necessary for an MMPA analysis

        C++ signature :
            boost::python::tuple FragmentMol(RDKit::ROMol,unsigned int,unsigned int,unsigned int [,std::string='[#6+0;!$(*=,#[!#6])]!@!=!#[*]' [,bool=True]])

    FragmentMol( (Mol)mol, (AtomPairsParameters)bondsToCut [, (int)minCuts=1 [, (int)maxCuts=3 [, (bool)resultsAsMols=True]]]) -> tuple :
        Does the fragmentation necessary for an MMPA analysis

        C++ signature :
            boost::python::tuple FragmentMol(RDKit::ROMol,boost::python::api::object [,unsigned int=1 [,unsigned int=3 [,bool=True]]])